在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
  • Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
  • Unreliable: 这个参考离子具有较高的排名价值,但缺乏可重复性。
  • Unavailable: 由于排名价值低且缺乏可重复性,这个参考离子不应用于注释。

Found 4 Reference Ions Near m/z 563.0951
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054146 Unreliable 563.1016 563.1012 ~ 563.1018
MzDiff: 2.3 ppm
(2s,3s,4s,5r,6s)-4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid (BioDeep_00002133159)
Formula: C25H22O15 (562.0959)
3.34 (75%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000003854 Unreliable 563.1009 563.1009 ~ 563.1009
MzDiff: none
Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518)
Formula: C25H24O16 (580.1064)
1.46 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000040413 Unavailable 563.1018 563.1018 ~ 563.1018
MzDiff: none
(2s,3s,4s,5r,6s)-4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid (BioDeep_00002133159)
Formula: C25H22O15 (562.0959)
-0.19 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000051223 Unreliable 563.096 563.096 ~ 563.096
MzDiff: none
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide (BioDeep_00000896297)
Formula: C23H23Cl2F3N4O3S (562.082)
0 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 4 Sample Hits
Metabolite Species Sample
[(z)-[(3r)-3-({2-[(3s)-2-hydroxy-3h-indol-3-yl]acetyl}oxy)-1-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid

Formula: C21H26N2O12S2 (562.0927)
Adducts: [M+H]+ (Ppm: 2.2)
Posidonia oceanica (root)
20190613_MS1_A19r-18
Resolution: 17μm, 246x264

Description

(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide

Formula: C23H23Cl2F3N4O3S (562.082)
Adducts: [M+H]+ (Ppm: 11.4)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide

Formula: C23H23Cl2F3N4O3S (562.082)
Adducts: [M+H]+ (Ppm: 12)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide

Formula: C23H23Cl2F3N4O3S (562.082)
Adducts: [M+H]+ (Ppm: 10.4)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description