Three candidates use clear standard short names, six are shown only as putative classes, and four are downgraded to Unknown features. Unknown features are unlabelled ordinary significant points in volcano plots and are excluded from heatmaps, where the next eligible threshold-meeting feature is used. Their original vendor candidates and downgrade reasons remain traceable in this table.
| Feature | original_full_candidate | final_figure_label | naming_tier_cn | rationale | volcano_label_status | volcano_marker_status | heatmap_eligibility | annotation_score | HMDB_ID | KEGG_ID | mz | retention_time_min |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Pos_M327T507 | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | 8-HDoHE† | 明确短名 | LIPID MAPS short name; exact identity remains putative pending authentic-standard confirmation | Displayed: curated Top candidate passing both thresholds | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.69 | 327.2315 | 8.4471 | ||
| Pos_M943T174_1 | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | PC 42:8;O3† | 明确短名 | Conservative LIPID MAPS species-level shorthand; detailed chains, hydroxyl positions and sn positions are not asserted | Displayed: curated Top candidate passing both thresholds | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.56 | HMDB0288145 | C00157 | 942.5728 | 2.8943 |
| Pos_M532T439 | 1-heptadecanoyl-sn-glycero-3-phosphocholine | LPC 17:0† | 明确短名 | LIPID MAPS/HMDB lysophosphatidylcholine shorthand | Not displayed: not selected or failed a threshold | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.54 | HMDB0012108 | C04230 | 532.3365 | 7.3164 |
| Pos_M432T341 | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | Putative diterpenoid† | 仅写推定类别 | ChEBI class-level annotation; no accepted trivial name | Not displayed: not selected or failed a threshold | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.73 | 432.2374 | 5.6906 | ||
| Pos_M415T385 | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | Putative diterpenoid† | 仅写推定类别 | ChEBI class-level annotation; no accepted trivial name | Displayed: curated Top candidate passing both thresholds | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.72 | 415.2111 | 6.4155 | ||
| Neg_M279T350 | (1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^2,^7]dodecan]-5'-en-4'-one | Putative trichothecene-like sesquiterpenoid† | 仅写推定类别 | Epoxy-sesquiterpenoid scaffold; no exact authoritative common-name match | Not displayed: not selected or failed a threshold | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.94 | 279.1257 | 5.8331 | ||
| Neg_M295T265 | [(2S,3S)-2-[(E,3R,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate | Putative phomopsolide-like pyranone† | 仅写推定类别 | Pyranone candidate related to, but stereochemically distinct from, Phomopsolide B | Not displayed: not selected or failed a threshold | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.57 | 295.1208 | 4.4204 | ||
| Pos_M567T485 | Cyclo(glycylleucylvalylleucylprolylseryl) | Putative cyclic hexapeptide† | 仅写推定类别 | ChEBI/HMDB class-level annotation; sequence identity is not promoted as confirmed | Displayed: curated Top candidate passing both thresholds | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.62 | HMDB0303709 | 567.3483 | 8.0903 | |
| Pos_M683T522 | Gypsogenin 3-O-beta-D-glucuronopyranoside | Putative triterpenoid saponin† | 仅写推定类别 | PhytoBank class-level annotation; exact plant-metabolite identity is not asserted in mouse tissue | Displayed: curated Top candidate passing both thresholds | 1.50-mm overlay only when selected and both thresholds pass | Eligible under the unchanged ranking and thresholds | 0.51 | 683.3667 | 8.7003 | ||
| Pos_M437T320 | 1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one | Removed from figure | Unknown feature | No reliable common name or biologically credible exact annotation | Removed; retained only in table | Ordinary significant point; no 1.50-mm overlay | Excluded; replaced by next threshold-meeting ranked feature | 0.88 | 437.1926 | 5.3338 | ||
| Pos_M502T411 | sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate | Removed from figure | Unknown feature | No HMDB/KEGG mapping, accepted common name or reliable class assignment | Removed; retained only in table | Ordinary significant point; no 1.50-mm overlay | Excluded; replaced by next threshold-meeting ranked feature | 0.54 | 502.2899 | 6.8445 | ||
| Pos_M438T362 | 3-methylbutyl 2-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]acetate | Removed from figure | Unknown feature | Synthetic-like aromatic library candidate without a biologically supported common name | Removed; retained only in table | Ordinary significant point; no 1.50-mm overlay | Excluded; replaced by next threshold-meeting ranked feature | 0.56 | 438.1962 | 6.0335 | ||
| Pos_M438T341 | [N-(2,5-dimethylphenyl)carbamoyl]methyl 3,4,5-triethoxybenzoate | Removed from figure | Unknown feature | Synthetic-like aromatic library candidate without a biologically supported common name | Removed; retained only in table | Ordinary significant point; no 1.50-mm overlay | Excluded; replaced by next threshold-meeting ranked feature | 0.55 | 438.196 | 5.6914 |
Every selected volcano and heatmap row is listed below. A dagger denotes a putative annotation requiring authentic-standard confirmation.
| comparison | figure_role | Feature | naming_tier | figure_label | volcano_label_displayed | volcano_marker_status | heatmap_eligibility | abbreviation_used | abbreviation_basis | displayed_name | vendor_primary_candidate | vendor_all_candidates | annotation_basis | annotation_score | mz | retention_time_min | adduct | HMDB_ID | KEGG_ID | interpretation_limit |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Met_NF_vs_FR | volcano | Neg_M570T425 | Full candidate name | LPS 22:5† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | LPS 22:5† | LPS 22:5 | LPS 22:5 | MS1+MS2 | 0.69 | 570.2723 | 7.0864 | M-H | C18125|C05974 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_FR | heatmap_top5 | Neg_M570T425 | Full candidate name | LPS 22:5† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPS 22:5† | LPS 22:5 | LPS 22:5 | MS1+MS2 | 0.69 | 570.2723 | 7.0864 | M-H | C18125|C05974 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_FR | heatmap_top10 | Neg_M570T425 | Full candidate name | LPS 22:5† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPS 22:5† | LPS 22:5 | LPS 22:5 | MS1+MS2 | 0.69 | 570.2723 | 7.0864 | M-H | C18125|C05974 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | volcano | Pos_M540T441 | Full candidate name | PS(2:0_16:0)† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | PS(2:0_16:0)† | PS(2:0_16:0) | PS 2:0_16:0|PS 18:0 | MS1+MS2 | 0.53 | 540.293 | 7.3574 | M+H | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Match_Neg_M504T343 | Full candidate name | LPE(20:3)† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | LPE(20:3)† | LPE(20:3) | LPE 20:3 | MS1+MS2 | 0.72 | 504.2944 | 5.7155 | M+H | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Pos_M466T428 | Full candidate name | PE(P-18:0/0:0)† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | PE(P-18:0/0:0)† | PE(P-18:0/0:0) | PE(P-18:0/0:0) | MS1+MS2 | 0.63 | 466.3275 | 7.1406 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | volcano | Pos_M452T354 | Full candidate name | LPC(13:1)† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | LPC(13:1)† | LPC(13:1) | LPC 13:1-SN1|LPC 13:1|LPC 13:1-SN2 | MS1+MS2 | 0.6 | 452.2761 | 5.8946 | M+H | C04230|C04233 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Pos_M502T411 | Unknown feature | Unknown P502.290 RT6.845† | False | Regular significant point | False | Unknown P502.290 RT6.845 | No HMDB/KEGG mapping, accepted common name or reliable class assignment | sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate† | sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate | sodium (2R)-2-((2R,5S,6R)-6-((3E,5E)-6-((3aR,4S,7aS)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl)hexa-3,5-dien-3-yl)-5-methyltetrahydro-2H-pyran-2-yl)butanoate | MS1+MS2 | 0.54 | 502.2899 | 6.8445 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | volcano | Pos_M438T362 | Unknown feature | Unknown P438.196 RT6.034† | False | Regular significant point | False | Unknown P438.196 RT6.034 | Synthetic-like aromatic library candidate without a biologically supported common name | 3-methylbutyl 2-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]acetate† | 3-methylbutyl 2-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]acetate | 3-methylbutyl 2-phenyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]acetate | MS1+MS2 | 0.56 | 438.1962 | 6.0335 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Pos_M439T362 | Full candidate name | Schisandrin A† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Schisandrin A† | Schisandrin A | Schisandrin A | MS1+MS2 | 0.53 | 439.1995 | 6.0343 | M+Na | HMDB0251013 | C16951 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_KONF_vs_KOFR | volcano | Pos_M415T385 | Putative class only | Putative diterpenoid† | True | Highlighted 1.50-mm point | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid† | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid|(E)-3-(Acetyloxymethyl)-5-(2-Formyl-4-Hydroxy-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalen-1-Yl)Pent-2-Enoic Acid | MS1+MS2 | 0.72 | 415.2111 | 6.4155 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | volcano | Pos_M883T295 | Full candidate name | PS(DiMe(11,3)/MonoMe(11,5))† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | PS(DiMe(11,3)/MonoMe(11,5))† | PS(DiMe(11,3)/MonoMe(11,5)) | PS(DiMe(11,3)/MonoMe(11,5)) | MS1+MS2 | 0.66 | 882.5551 | 4.9094 | M+H | HMDB0061558 | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M540T441 | Full candidate name | PS(2:0_16:0)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PS(2:0_16:0)† | PS(2:0_16:0) | PS 2:0_16:0|PS 18:0 | MS1+MS2 | 0.53 | 540.293 | 7.3574 | M+H | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top5 | Match_Neg_M504T343 | Full candidate name | LPE(20:3)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPE(20:3)† | LPE(20:3) | LPE 20:3 | MS1+MS2 | 0.72 | 504.2944 | 5.7155 | M+H | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M466T428 | Full candidate name | PE(P-18:0/0:0)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PE(P-18:0/0:0)† | PE(P-18:0/0:0) | PE(P-18:0/0:0) | MS1+MS2 | 0.63 | 466.3275 | 7.1406 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M452T354 | Full candidate name | LPC(13:1)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPC(13:1)† | LPC(13:1) | LPC 13:1-SN1|LPC 13:1|LPC 13:1-SN2 | MS1+MS2 | 0.6 | 452.2761 | 5.8946 | M+H | C04230|C04233 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M532T439 | Clear standard short name | LPC 17:0† | Not applicable to heatmap | True | LPC 17:0 | LIPID MAPS/HMDB lysophosphatidylcholine shorthand | 1-heptadecanoyl-sn-glycero-3-phosphocholine† | 1-heptadecanoyl-sn-glycero-3-phosphocholine | 1-heptadecanoyl-sn-glycero-3-phosphocholine|LysoPC(17:0/0:0)|1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine | MS1+MS2 | 0.54 | 532.3365 | 7.3164 | M+Na | HMDB0012108 | C04230 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M439T362 | Full candidate name | Schisandrin A† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Schisandrin A† | Schisandrin A | Schisandrin A | MS1+MS2 | 0.53 | 439.1995 | 6.0343 | M+Na | HMDB0251013 | C16951 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M415T385 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid† | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid|(E)-3-(Acetyloxymethyl)-5-(2-Formyl-4-Hydroxy-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalen-1-Yl)Pent-2-Enoic Acid | MS1+MS2 | 0.72 | 415.2111 | 6.4155 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M883T295 | Full candidate name | PS(DiMe(11,3)/MonoMe(11,5))† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PS(DiMe(11,3)/MonoMe(11,5))† | PS(DiMe(11,3)/MonoMe(11,5)) | PS(DiMe(11,3)/MonoMe(11,5)) | MS1+MS2 | 0.66 | 882.5551 | 4.9094 | M+H | HMDB0061558 | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top5 | Pos_M437T385 | Full candidate name | Artocarpin† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Artocarpin† | Artocarpin | Artocarpin | MS1+MS2 | 0.63 | 437.1927 | 6.4152 | M+H | HMDB0030849 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M540T441 | Full candidate name | PS(2:0_16:0)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PS(2:0_16:0)† | PS(2:0_16:0) | PS 2:0_16:0|PS 18:0 | MS1+MS2 | 0.53 | 540.293 | 7.3574 | M+H | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Match_Neg_M504T343 | Full candidate name | LPE(20:3)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPE(20:3)† | LPE(20:3) | LPE 20:3 | MS1+MS2 | 0.72 | 504.2944 | 5.7155 | M+H | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M466T428 | Full candidate name | PE(P-18:0/0:0)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PE(P-18:0/0:0)† | PE(P-18:0/0:0) | PE(P-18:0/0:0) | MS1+MS2 | 0.63 | 466.3275 | 7.1406 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M452T354 | Full candidate name | LPC(13:1)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPC(13:1)† | LPC(13:1) | LPC 13:1-SN1|LPC 13:1|LPC 13:1-SN2 | MS1+MS2 | 0.6 | 452.2761 | 5.8946 | M+H | C04230|C04233 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M532T439 | Clear standard short name | LPC 17:0† | Not applicable to heatmap | True | LPC 17:0 | LIPID MAPS/HMDB lysophosphatidylcholine shorthand | 1-heptadecanoyl-sn-glycero-3-phosphocholine† | 1-heptadecanoyl-sn-glycero-3-phosphocholine | 1-heptadecanoyl-sn-glycero-3-phosphocholine|LysoPC(17:0/0:0)|1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine | MS1+MS2 | 0.54 | 532.3365 | 7.3164 | M+Na | HMDB0012108 | C04230 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_KONF_vs_KOFR | heatmap_top10 | Neg_M450T355 | Full candidate name | LysoPE(16:1(9Z)/0:0)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LysoPE(16:1(9Z)/0:0)† | LysoPE(16:1(9Z)/0:0) | LysoPE(16:1(9Z)/0:0) | MS1+MS2 | 0.62 | 450.2607 | 5.9109 | M-H | HMDB0011504 | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top10 | Neg_M424T336 | Full candidate name | LPE 14:0† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPE 14:0† | LPE 14:0 | LPE 14:0 | MS1+MS2 | 0.78 | 424.2453 | 5.5984 | M-H | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Neg_M438T413 | Full candidate name | LPE O-16:0† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPE O-16:0† | LPE O-16:0 | LPE O-16:0 | MS1+MS2 | 0.79 | 438.2965 | 6.8808 | M-H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top10 | Neg_M554T439 | Full candidate name | LPC 17:0† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPC 17:0† | LPC 17:0 | LPC 17:0 | MS1+MS2 | 0.78 | 554.3446 | 7.3103 | M+HCOO | C04230|C04233 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Neg_M530T410 | Full candidate name | LPE 22:3† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LPE 22:3† | LPE 22:3 | LPE 22:3 | MS1+MS2 | 0.56 | 530.3132 | 6.8349 | M-H | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M439T362 | Full candidate name | Schisandrin A† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Schisandrin A† | Schisandrin A | Schisandrin A | MS1+MS2 | 0.53 | 439.1995 | 6.0343 | M+Na | HMDB0251013 | C16951 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M415T385 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid† | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid|(E)-3-(Acetyloxymethyl)-5-(2-Formyl-4-Hydroxy-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalen-1-Yl)Pent-2-Enoic Acid | MS1+MS2 | 0.72 | 415.2111 | 6.4155 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M883T295 | Full candidate name | PS(DiMe(11,3)/MonoMe(11,5))† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PS(DiMe(11,3)/MonoMe(11,5))† | PS(DiMe(11,3)/MonoMe(11,5)) | PS(DiMe(11,3)/MonoMe(11,5)) | MS1+MS2 | 0.66 | 882.5551 | 4.9094 | M+H | HMDB0061558 | C02737 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M437T385 | Full candidate name | Artocarpin† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Artocarpin† | Artocarpin | Artocarpin | MS1+MS2 | 0.63 | 437.1927 | 6.4152 | M+H | HMDB0030849 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M380T295 | Full candidate name | Calicogorgin A† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Calicogorgin A† | Calicogorgin A | Calicogorgin A | MS1+MS2 | 0.8 | 380.3103 | 4.9094 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M862T295 | Full candidate name | PC(MonoMe(11,3)/MonoMe(9,5))† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PC(MonoMe(11,3)/MonoMe(9,5))† | PC(MonoMe(11,3)/MonoMe(9,5)) | PC(MonoMe(11,3)/MonoMe(9,5)) | MS1+MS2 | 0.71 | 861.5358 | 4.9096 | M+Na | HMDB0061443 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M879T295 | Full candidate name | PC(PGD1/20:5(5Z,8Z,11Z,14Z,17Z))† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PC(PGD1/20:5(5Z,8Z,11Z,14Z,17Z))† | PC(PGD1/20:5(5Z,8Z,11Z,14Z,17Z)) | PC(PGD1/20:5(5Z,8Z,11Z,14Z,17Z)) | MS1+MS2 | 0.6 | 878.546 | 4.9093 | M+H | HMDB0287754 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M415T362 | Full candidate name | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole† | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole | MS1+MS2 | 0.78 | 415.2109 | 6.0333 | M-H2O+H | HMDB0255621 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_KONF_vs_KOFR | heatmap_top10 | Pos_M432T341 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate† | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | MS1+MS2 | 0.73 | 432.2374 | 5.6906 | M+ACN+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | volcano | Neg_M341T420 | Full candidate name | 2,3-Dinor-TXB2† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | 2,3-Dinor-TXB2† | 2,3-Dinor-TXB2 | 2,3-Dinor-TXB2 | MS1+MS2 | 0.52 | 341.2102 | 7.0019 | M-H | HMDB0002904 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | volcano | Neg_M125T205 | Full candidate name | 4-Octen-3-one† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | 4-Octen-3-one† | 4-Octen-3-one | 4-Octen-3-one | MS1+MS2 | 0.63 | 125.0961 | 3.425 | M-H | HMDB0032451 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | volcano | Neg_M111T110 | Full candidate name | Citraconic anhydride† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Citraconic anhydride† | Citraconic anhydride | Citraconic anhydride | MS1+MS2 | 0.52 | 111.008 | 1.836 | M-H | HMDB0250302 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | volcano | Pos_M372T297 | Full candidate name | (E)-Tamoxifen† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | (E)-Tamoxifen† | (E)-Tamoxifen | (E)-Tamoxifen|Tamoxifen|Tamoxifen Citrate (Nolvadex) | MS1+MS2 | 0.7 | 372.243 | 4.9496 | M+H | HMDB0243648 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | volcano | Neg_M205T175 | Full candidate name | 2-Methylcitrate† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | 2-Methylcitrate† | 2-Methylcitrate | 2-Methylcitrate|2-Methylcitric acid|2-methylcitric acid | MS1+MS2 | 0.53 | 205.0337 | 2.9142 | M-H | HMDB0000379 | C02225 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_NF_vs_KONF | volcano | Pos_M953T177_2 | Full candidate name | PC(DiMe(13,5)/PGE2)† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | PC(DiMe(13,5)/PGE2)† | PC(DiMe(13,5)/PGE2) | PC(DiMe(13,5)/PGE2) | MS1+MS2 | 0.72 | 952.6367 | 2.951 | M+H | HMDB0289137 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_NF_vs_KONF | volcano | Pos_M943T174_1 | Clear standard short name | PC 42:8;O3† | True | Highlighted 1.50-mm point | True | PC 42:8;O3 | Conservative LIPID MAPS species-level shorthand; detailed chains, hydroxyl positions and sn positions are not asserted | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z))† | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | MS1+MS2 | 0.56 | 942.5728 | 2.8943 | M+Na | HMDB0288145 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required |
| Met_NF_vs_KONF | heatmap_top5 | Neg_M341T420 | Full candidate name | 2,3-Dinor-TXB2† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 2,3-Dinor-TXB2† | 2,3-Dinor-TXB2 | 2,3-Dinor-TXB2 | MS1+MS2 | 0.52 | 341.2102 | 7.0019 | M-H | HMDB0002904 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top5 | Neg_M125T205 | Full candidate name | 4-Octen-3-one† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 4-Octen-3-one† | 4-Octen-3-one | 4-Octen-3-one | MS1+MS2 | 0.63 | 125.0961 | 3.425 | M-H | HMDB0032451 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top5 | Neg_M111T110 | Full candidate name | Citraconic anhydride† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Citraconic anhydride† | Citraconic anhydride | Citraconic anhydride | MS1+MS2 | 0.52 | 111.008 | 1.836 | M-H | HMDB0250302 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top5 | Pos_M372T297 | Full candidate name | (E)-Tamoxifen† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | (E)-Tamoxifen† | (E)-Tamoxifen | (E)-Tamoxifen|Tamoxifen|Tamoxifen Citrate (Nolvadex) | MS1+MS2 | 0.7 | 372.243 | 4.9496 | M+H | HMDB0243648 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top5 | Neg_M205T175 | Full candidate name | 2-Methylcitrate† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 2-Methylcitrate† | 2-Methylcitrate | 2-Methylcitrate|2-Methylcitric acid|2-methylcitric acid | MS1+MS2 | 0.53 | 205.0337 | 2.9142 | M-H | HMDB0000379 | C02225 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | heatmap_top5 | Pos_M953T177_2 | Full candidate name | PC(DiMe(13,5)/PGE2)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PC(DiMe(13,5)/PGE2)† | PC(DiMe(13,5)/PGE2) | PC(DiMe(13,5)/PGE2) | MS1+MS2 | 0.72 | 952.6367 | 2.951 | M+H | HMDB0289137 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | heatmap_top5 | Pos_M943T174_1 | Clear standard short name | PC 42:8;O3† | Not applicable to heatmap | True | PC 42:8;O3 | Conservative LIPID MAPS species-level shorthand; detailed chains, hydroxyl positions and sn positions are not asserted | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z))† | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | MS1+MS2 | 0.56 | 942.5728 | 2.8943 | M+Na | HMDB0288145 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_NF_vs_KONF | heatmap_top10 | Neg_M341T420 | Full candidate name | 2,3-Dinor-TXB2† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 2,3-Dinor-TXB2† | 2,3-Dinor-TXB2 | 2,3-Dinor-TXB2 | MS1+MS2 | 0.52 | 341.2102 | 7.0019 | M-H | HMDB0002904 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top10 | Neg_M125T205 | Full candidate name | 4-Octen-3-one† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 4-Octen-3-one† | 4-Octen-3-one | 4-Octen-3-one | MS1+MS2 | 0.63 | 125.0961 | 3.425 | M-H | HMDB0032451 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top10 | Neg_M111T110 | Full candidate name | Citraconic anhydride† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Citraconic anhydride† | Citraconic anhydride | Citraconic anhydride | MS1+MS2 | 0.52 | 111.008 | 1.836 | M-H | HMDB0250302 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top10 | Pos_M372T297 | Full candidate name | (E)-Tamoxifen† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | (E)-Tamoxifen† | (E)-Tamoxifen | (E)-Tamoxifen|Tamoxifen|Tamoxifen Citrate (Nolvadex) | MS1+MS2 | 0.7 | 372.243 | 4.9496 | M+H | HMDB0243648 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_NF_vs_KONF | heatmap_top10 | Neg_M205T175 | Full candidate name | 2-Methylcitrate† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 2-Methylcitrate† | 2-Methylcitrate | 2-Methylcitrate|2-Methylcitric acid|2-methylcitric acid | MS1+MS2 | 0.53 | 205.0337 | 2.9142 | M-H | HMDB0000379 | C02225 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | heatmap_top10 | Pos_M953T177_2 | Full candidate name | PC(DiMe(13,5)/PGE2)† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | PC(DiMe(13,5)/PGE2)† | PC(DiMe(13,5)/PGE2) | PC(DiMe(13,5)/PGE2) | MS1+MS2 | 0.72 | 952.6367 | 2.951 | M+H | HMDB0289137 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_NF_vs_KONF | heatmap_top10 | Pos_M943T174_1 | Clear standard short name | PC 42:8;O3† | Not applicable to heatmap | True | PC 42:8;O3 | Conservative LIPID MAPS species-level shorthand; detailed chains, hydroxyl positions and sn positions are not asserted | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z))† | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:3(10Z,13Z,16Z)) | MS1+MS2 | 0.56 | 942.5728 | 2.8943 | M+Na | HMDB0288145 | C00157 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_NF_vs_KONF | heatmap_top10 | Pos_M449T186 | Full candidate name | Cubebinin† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Cubebinin† | Cubebinin | Cubebinin | MS1+MS2 | 0.51 | 449.214 | 3.0942 | M+H | HMDB0033273 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | volcano | Neg_M500T374 | Full candidate name | LPE(20:4)† | True | Highlighted 1.50-mm point | True | LPE(20:4) | LIPID MAPS-style shorthand present in the library aliases | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)† | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)|1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | MS1+MS2 | 0.84 | 500.2769 | 6.2274 | M-H | HMDB0011517 | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required |
| Met_FR_vs_KOFR | volcano | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | volcano | Pos_M567T485 | Putative class only | Putative cyclic hexapeptide† | True | Highlighted 1.50-mm point | True | Putative cyclic hexapeptide | ChEBI/HMDB class-level annotation; sequence identity is not promoted as confirmed | Cyclo(glycylleucylvalylleucylprolylseryl)† | Cyclo(glycylleucylvalylleucylprolylseryl) | Cyclo(glycylleucylvalylleucylprolylseryl) | MS1+MS2 | 0.62 | 567.3483 | 8.0903 | M+H | HMDB0303709 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_FR_vs_KOFR | volcano | Pos_M287T470 | Full candidate name | 17alpha-Methylestradiol† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | 17alpha-Methylestradiol† | 17alpha-Methylestradiol | 17alpha-Methylestradiol | MS1+MS2 | 0.54 | 287.1999 | 7.8289 | M+H | HMDB0244778 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | volcano | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | volcano | Pos_M93T153 | Full candidate name | Glycerol† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_FR_vs_KOFR | volcano | Pos_M517T342 | Full candidate name | Listrocol† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Listrocol† | Listrocol | Listrocol | MS1+MS2 | 0.53 | 517.1364 | 5.6967 | M+H | HMDB0250259 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | volcano | Pos_M437T320 | Unknown feature | Unknown P437.193 RT5.334† | False | Regular significant point | False | Unknown P437.193 RT5.334 | No reliable common name or biologically credible exact annotation | 1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one† | 1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one | 1-({[2-(2-furylmethyl)-5-methylpyrrolidinyl]amino}methylene)-7-[8-({[2-(2-fury lmethyl)pyrrolidinyl]amino}methylene)-1,6-dihydroxy-3-methyl-5-(methylethyl)-7 -oxo(2-naphthyl)]-3,8-dihydroxy-6-methyl-4-(methylethyl)naphthalen-2-one | MS1+MS2 | 0.88 | 437.1926 | 5.3338 | M+2Na] | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | volcano | Pos_M438T341 | Unknown feature | Unknown P438.196 RT5.691† | False | Regular significant point | False | Unknown P438.196 RT5.691 | Synthetic-like aromatic library candidate without a biologically supported common name | [N-(2,5-dimethylphenyl)carbamoyl]methyl 3,4,5-triethoxybenzoate† | [N-(2,5-dimethylphenyl)carbamoyl]methyl 3,4,5-triethoxybenzoate | [N-(2,5-dimethylphenyl)carbamoyl]methyl 3,4,5-triethoxybenzoate | MS1+MS2 | 0.55 | 438.196 | 5.6914 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | heatmap_top5 | Neg_M500T374 | Full candidate name | LPE(20:4)† | Not applicable to heatmap | True | LPE(20:4) | LIPID MAPS-style shorthand present in the library aliases | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)† | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)|1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | MS1+MS2 | 0.84 | 500.2769 | 6.2274 | M-H | HMDB0011517 | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M567T485 | Putative class only | Putative cyclic hexapeptide† | Not applicable to heatmap | True | Putative cyclic hexapeptide | ChEBI/HMDB class-level annotation; sequence identity is not promoted as confirmed | Cyclo(glycylleucylvalylleucylprolylseryl)† | Cyclo(glycylleucylvalylleucylprolylseryl) | Cyclo(glycylleucylvalylleucylprolylseryl) | MS1+MS2 | 0.62 | 567.3483 | 8.0903 | M+H | HMDB0303709 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M287T470 | Full candidate name | 17alpha-Methylestradiol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 17alpha-Methylestradiol† | 17alpha-Methylestradiol | 17alpha-Methylestradiol | MS1+MS2 | 0.54 | 287.1999 | 7.8289 | M+H | HMDB0244778 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M93T153 | Full candidate name | Glycerol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M517T342 | Full candidate name | Listrocol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Listrocol† | Listrocol | Listrocol | MS1+MS2 | 0.53 | 517.1364 | 5.6967 | M+H | HMDB0250259 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M437T342 | Full candidate name | Arg Met Met† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Arg Met Met† | Arg Met Met | Arg Met Met | MS1+MS2 | 0.51 | 437.1928 | 5.6979 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top5 | Pos_M432T341 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate† | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | MS1+MS2 | 0.73 | 432.2374 | 5.6906 | M+ACN+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Neg_M500T374 | Full candidate name | LPE(20:4)† | Not applicable to heatmap | True | LPE(20:4) | LIPID MAPS-style shorthand present in the library aliases | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)† | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) | LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)|1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine | MS1+MS2 | 0.84 | 500.2769 | 6.2274 | M-H | HMDB0011517 | C04438|C05973 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M567T485 | Putative class only | Putative cyclic hexapeptide† | Not applicable to heatmap | True | Putative cyclic hexapeptide | ChEBI/HMDB class-level annotation; sequence identity is not promoted as confirmed | Cyclo(glycylleucylvalylleucylprolylseryl)† | Cyclo(glycylleucylvalylleucylprolylseryl) | Cyclo(glycylleucylvalylleucylprolylseryl) | MS1+MS2 | 0.62 | 567.3483 | 8.0903 | M+H | HMDB0303709 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M287T470 | Full candidate name | 17alpha-Methylestradiol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 17alpha-Methylestradiol† | 17alpha-Methylestradiol | 17alpha-Methylestradiol | MS1+MS2 | 0.54 | 287.1999 | 7.8289 | M+H | HMDB0244778 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M93T153 | Full candidate name | Glycerol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M517T342 | Full candidate name | Listrocol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Listrocol† | Listrocol | Listrocol | MS1+MS2 | 0.53 | 517.1364 | 5.6967 | M+H | HMDB0250259 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M437T342 | Full candidate name | Arg Met Met† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Arg Met Met† | Arg Met Met | Arg Met Met | MS1+MS2 | 0.51 | 437.1928 | 5.6979 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M432T341 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate† | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | NCGC00385123-01_C22H30O6_7b,9-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate | MS1+MS2 | 0.73 | 432.2374 | 5.6906 | M+ACN+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M415T385 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid† | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid|(E)-3-(Acetyloxymethyl)-5-(2-Formyl-4-Hydroxy-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalen-1-Yl)Pent-2-Enoic Acid | MS1+MS2 | 0.72 | 415.2111 | 6.4155 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M437T385 | Full candidate name | Artocarpin† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Artocarpin† | Artocarpin | Artocarpin | MS1+MS2 | 0.63 | 437.1927 | 6.4152 | M+H | HMDB0030849 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M433T341 | Full candidate name | Phe Pro Gly Leu† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Phe Pro Gly Leu† | Phe Pro Gly Leu | Phe Pro Gly Leu | MS1+MS2 | 0.51 | 433.2414 | 5.6872 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M419T295 | Full candidate name | (2Z)-2-[(E)-6-(Hydroxymethyl)-2,4,8,10-Tetramethyldodec-2-Enylidene]-4-Methylpentanedioic Acid† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | (2Z)-2-[(E)-6-(Hydroxymethyl)-2,4,8,10-Tetramethyldodec-2-Enylidene]-4-Methylpentanedioic Acid† | (2Z)-2-[(E)-6-(Hydroxymethyl)-2,4,8,10-Tetramethyldodec-2-Enylidene]-4-Methylpentanedioic Acid | (2Z)-2-[(E)-6-(Hydroxymethyl)-2,4,8,10-Tetramethyldodec-2-Enylidene]-4-Methylpentanedioic Acid | MS1+MS2 | 0.51 | 419.2661 | 4.9093 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_FR_vs_KOFR | heatmap_top10 | Pos_M415T362 | Full candidate name | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole† | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole | 6-[3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-4-methoxy-1,3-benzodioxole | MS1+MS2 | 0.78 | 415.2109 | 6.0333 | M-H2O+H | HMDB0255621 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | volcano | Pos_M327T507 | Clear standard short name | 8-HDoHE† | True | Highlighted 1.50-mm point | True | 8-HDoHE | LIPID MAPS short name; exact identity remains putative pending authentic-standard confirmation | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid† | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid|8-HDoHE | MS1+MS2 | 0.69 | 327.2315 | 8.4471 | M+H-H2O | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | volcano | Neg_M516T284 | Full candidate name | LNAPE 2:0/N-18:3† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | LNAPE 2:0/N-18:3† | LNAPE 2:0/N-18:3 | LNAPE 2:0/N-18:3 | MS1+MS2 | 0.52 | 516.2712 | 4.7257 | M-H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | volcano | Pos_M359T271 | Full candidate name | 12(S),20-DiHETE† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | 12(S),20-DiHETE† | 12(S),20-DiHETE | 12(S),20-DiHETE | MS1+MS2 | 0.8 | 359.2207 | 4.5096 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | volcano | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | volcano | Pos_M414T274 | Full candidate name | Solasodine† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Solasodine† | Solasodine | Solasodine|CCG-208540|solasodine|Solasod-5-en-3beta-ol|Solasodin | MS1+MS2 | 0.74 | 414.331 | 4.5596 | M+H | HMDB0035282 | C10822 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_interaction | volcano | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | volcano | Pos_M93T153 | Full candidate name | Glycerol† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_interaction | volcano | Pos_M579T197 | Full candidate name | Asparagoside A† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Asparagoside A† | Asparagoside A | Asparagoside A|Timosaponin A1 | MS1+MS2 | 0.81 | 579.3949 | 3.2792 | M+H | HMDB0030046 | C08886 | Putative vendor-library candidate; authentic-standard confirmation required | |
| Met_interaction | volcano | Pos_M683T522 | Putative class only | Putative triterpenoid saponin† | True | Highlighted 1.50-mm point | True | Putative triterpenoid saponin | PhytoBank class-level annotation; exact plant-metabolite identity is not asserted in mouse tissue | Gypsogenin 3-O-beta-D-glucuronopyranoside† | Gypsogenin 3-O-beta-D-glucuronopyranoside | Gypsogenin 3-O-beta-D-glucuronopyranoside | MS1+MS2 | 0.51 | 683.3667 | 8.7003 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | volcano | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | True | Highlighted 1.50-mm point | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top5 | Pos_M327T507 | Clear standard short name | 8-HDoHE† | Not applicable to heatmap | True | 8-HDoHE | LIPID MAPS short name; exact identity remains putative pending authentic-standard confirmation | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid† | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid|8-HDoHE | MS1+MS2 | 0.69 | 327.2315 | 8.4471 | M+H-H2O | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top5 | Neg_M516T284 | Full candidate name | LNAPE 2:0/N-18:3† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LNAPE 2:0/N-18:3† | LNAPE 2:0/N-18:3 | LNAPE 2:0/N-18:3 | MS1+MS2 | 0.52 | 516.2712 | 4.7257 | M-H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top5 | Pos_M359T271 | Full candidate name | 12(S),20-DiHETE† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 12(S),20-DiHETE† | 12(S),20-DiHETE | 12(S),20-DiHETE | MS1+MS2 | 0.8 | 359.2207 | 4.5096 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top5 | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top5 | Pos_M414T274 | Full candidate name | Solasodine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Solasodine† | Solasodine | Solasodine|CCG-208540|solasodine|Solasod-5-en-3beta-ol|Solasodin | MS1+MS2 | 0.74 | 414.331 | 4.5596 | M+H | HMDB0035282 | C10822 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top5 | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top5 | Pos_M93T153 | Full candidate name | Glycerol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top5 | Pos_M579T197 | Full candidate name | Asparagoside A† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Asparagoside A† | Asparagoside A | Asparagoside A|Timosaponin A1 | MS1+MS2 | 0.81 | 579.3949 | 3.2792 | M+H | HMDB0030046 | C08886 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top5 | Pos_M683T522 | Putative class only | Putative triterpenoid saponin† | Not applicable to heatmap | True | Putative triterpenoid saponin | PhytoBank class-level annotation; exact plant-metabolite identity is not asserted in mouse tissue | Gypsogenin 3-O-beta-D-glucuronopyranoside† | Gypsogenin 3-O-beta-D-glucuronopyranoside | Gypsogenin 3-O-beta-D-glucuronopyranoside | MS1+MS2 | 0.51 | 683.3667 | 8.7003 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top5 | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M327T507 | Clear standard short name | 8-HDoHE† | Not applicable to heatmap | True | 8-HDoHE | LIPID MAPS short name; exact identity remains putative pending authentic-standard confirmation | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid† | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid | (.+/-.)-8-Hydroxy-4Z,6E,10Z,13Z,16Z,19Z-docosahexaenoic acid|8-HDoHE | MS1+MS2 | 0.69 | 327.2315 | 8.4471 | M+H-H2O | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Neg_M516T284 | Full candidate name | LNAPE 2:0/N-18:3† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | LNAPE 2:0/N-18:3† | LNAPE 2:0/N-18:3 | LNAPE 2:0/N-18:3 | MS1+MS2 | 0.52 | 516.2712 | 4.7257 | M-H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M359T271 | Full candidate name | 12(S),20-DiHETE† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 12(S),20-DiHETE† | 12(S),20-DiHETE | 12(S),20-DiHETE | MS1+MS2 | 0.8 | 359.2207 | 4.5096 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M536T316 | Full candidate name | Lys Phe Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Lys Phe Asn Lys† | Lys Phe Asn Lys | Lys Phe Asn Lys | MS1+MS2 | 0.57 | 536.3341 | 5.2696 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M414T274 | Full candidate name | Solasodine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Solasodine† | Solasodine | Solasodine|CCG-208540|solasodine|Solasod-5-en-3beta-ol|Solasodin | MS1+MS2 | 0.74 | 414.331 | 4.5596 | M+H | HMDB0035282 | C10822 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top10 | Pos_M287T470 | Full candidate name | 17alpha-Methylestradiol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | 17alpha-Methylestradiol† | 17alpha-Methylestradiol | 17alpha-Methylestradiol | MS1+MS2 | 0.54 | 287.1999 | 7.8289 | M+H | HMDB0244778 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M104T153 | Full candidate name | O-Acetylethanolamine† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | O-Acetylethanolamine† | O-Acetylethanolamine | O-Acetylethanolamine | MS1+MS2 | 0.73 | 104.0587 | 2.5581 | M+H | HMDB0038394 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M93T153 | Full candidate name | Glycerol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glycerol† | Glycerol | Glycerol|1,2,3-Propanetriol | MS1+MS2 | 0.6 | 93.0686 | 2.5555 | M+H | HMDB0000131 | C00116 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top10 | Pos_M579T197 | Full candidate name | Asparagoside A† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Asparagoside A† | Asparagoside A | Asparagoside A|Timosaponin A1 | MS1+MS2 | 0.81 | 579.3949 | 3.2792 | M+H | HMDB0030046 | C08886 | Putative vendor-library candidate; authentic-standard confirmation required | ||
| Met_interaction | heatmap_top10 | Pos_M683T522 | Putative class only | Putative triterpenoid saponin† | Not applicable to heatmap | True | Putative triterpenoid saponin | PhytoBank class-level annotation; exact plant-metabolite identity is not asserted in mouse tissue | Gypsogenin 3-O-beta-D-glucuronopyranoside† | Gypsogenin 3-O-beta-D-glucuronopyranoside | Gypsogenin 3-O-beta-D-glucuronopyranoside | MS1+MS2 | 0.51 | 683.3667 | 8.7003 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M553T521 | Full candidate name | Glu Tyr Asn Lys† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Glu Tyr Asn Lys† | Glu Tyr Asn Lys | Glu Tyr Asn Lys | MS1+MS2 | 0.5 | 553.254 | 8.6836 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M415T385 | Putative class only | Putative diterpenoid† | Not applicable to heatmap | True | Putative diterpenoid | ChEBI class-level annotation; no accepted trivial name | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid† | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid | (E)-3-(acetyloxymethyl)-5-(2-formyl-4-hydroxy-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)pent-2-enoic acid|(E)-3-(Acetyloxymethyl)-5-(2-Formyl-4-Hydroxy-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalen-1-Yl)Pent-2-Enoic Acid | MS1+MS2 | 0.72 | 415.2111 | 6.4155 | M+Na | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M387T333 | Full candidate name | Butyryl timolol† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Butyryl timolol† | Butyryl timolol | Butyryl timolol | MS1+MS2 | 0.62 | 387.1926 | 5.5557 | M+H | HMDB0249485 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M288T346 | Full candidate name | Lauroyl diethanolamide† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Lauroyl diethanolamide† | Lauroyl diethanolamide | Lauroyl diethanolamide|Lauryl diethanolamide|C11DEA | MS1+MS2 | 0.87 | 288.2522 | 5.7616 | M+H | HMDB0032358 | Putative vendor-library candidate; authentic-standard confirmation required | |||
| Met_interaction | heatmap_top10 | Pos_M433T341 | Full candidate name | Phe Pro Gly Leu† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | Phe Pro Gly Leu† | Phe Pro Gly Leu | Phe Pro Gly Leu | MS1+MS2 | 0.51 | 433.2414 | 5.6872 | M+H | Putative vendor-library candidate; authentic-standard confirmation required | ||||
| Met_interaction | heatmap_top10 | Pos_M684T522 | Full candidate name | His Ser Glu Arg Arg† | Not applicable to heatmap | True | No unambiguous standard short form; full candidate retained | His Ser Glu Arg Arg† | His Ser Glu Arg Arg | His Ser Glu Arg Arg | MS1+MS2 | 0.5 | 684.3693 | 8.6922 | M+H | Putative vendor-library candidate; authentic-standard confirmation required |