M/Z: 633.3812


Hit 1 annotations:  3-trans-Caffeoyltormentic acid_[M+H-H2O]+


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 5 Reference Ions Near m/z 633.3812
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058154 Reliable 633.3813 633.3812 ~ 633.3817
MzDiff: 2.2 ppm		 3-trans-Caffeoyltormentic acid (BioDeep_00000036212)
Formula: C39H54O8 (650.3818)		 4.52 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000010094 Unavailable 633.3853 633.3853 ~ 633.3853
MzDiff: 0.1 ppm		 (2r,3r,4r,5r,6s)-2-{[(1r,4ar,5s,6r,8as)-6-hydroxy-1,4a,6-trimethyl-5-[(3s)-3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-4-en-1-yl]-hexahydro-2h-naphthalen-1-yl]methoxy}-6-methyloxane-3,4,5-triol (BioDeep_00002135168)
Formula: C32H56O12 (632.3772)		 -0.02 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000011772 Unreliable 633.3853 633.3853 ~ 633.3853
MzDiff: none		 (2r,3r,4r,5r,6s)-2-{[(1r,4ar,5s,6r,8as)-6-hydroxy-1,4a,6-trimethyl-5-[(3s)-3-methyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-4-en-1-yl]-hexahydro-2h-naphthalen-1-yl]methoxy}-6-methyloxane-3,4,5-triol (BioDeep_00002135168)
Formula: C32H56O12 (632.3772)		 1.72 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000043370 Unreliable 633.3823 633.3823 ~ 633.3823
MzDiff: none		 3-trans-Caffeoyltormentic acid (BioDeep_00000036212)
Formula: C39H54O8 (650.3818)		 1.9 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000055684 Unreliable 633.3792 633.3792 ~ 633.3792
MzDiff: none		 3-trans-Caffeoyltormentic acid (BioDeep_00000036212)
Formula: C39H54O8 (650.3818)		 1 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 8 Sample Hits
Metabolite Species Sample
3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 4.2) 		Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 5.9) 		Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 1) 		Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 3.2) 		Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 5) 		Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 4.3) 		Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 0.6) 		Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

3-trans-Caffeoyltormentic acid

Formula: C39H54O8 (650.3818)
Adducts: [M+H-H2O]+ (Ppm: 0.9) 		Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description