M/Z: 313.022


Hit 3 annotations:  (5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)methyl 2-methylpropanoate_[M+H-2H2O]+; Inosine 5'-monophosphate (IMP)_[M+H-2H2O]+; (2r)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic 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 12 Reference Ions Near m/z 313.022
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053649 Reliable 313.0314 313.0311 ~ 313.0317
MzDiff: 2.5 ppm		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 6.26 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000017431 Reliable 313.0233 313.0233 ~ 313.0234
MzDiff: 0.4 ppm		 (5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)methyl 2-methylpropanoate (BioDeep_00002247684)
Formula: C17H16O2S3 (348.0312)		 2.42 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000017780 Reliable 313.032 313.032 ~ 313.032
MzDiff: 0.1 ppm		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 1.43 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000016307 Unreliable 313.032 313.032 ~ 313.032
MzDiff: 0.1 ppm		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 2.23 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000004299 Unreliable 313.0318 313.0318 ~ 313.0318
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 0.79 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000007839 313.0319 313.0319 ~ 313.0319
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 1.47 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000012938 Unavailable 313.0315 313.0315 ~ 313.0315
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 -0.55 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013696 Unreliable 313.0315 313.0315 ~ 313.0315
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 0.37 (100%) Plant
[PO:0005417] phloem
MSI_000018710 Unreliable 313.0315 313.0315 ~ 313.0315
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 1.6 (100%) Plant
[PO:0020124] root stele
MSI_000033844 Unreliable 313.0311 313.0311 ~ 313.0311
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 0.43 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000036032 Unavailable 313.0311 313.0311 ~ 313.0311
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 -0.4 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000037251 Unreliable 313.0314 313.0314 ~ 313.0314
MzDiff: none		 Inosine 5'-monophosphate (IMP) (BioDeep_00000002969)
Formula: C10H13N4O8P (348.0471)		 1.98 (100%) Posidonia oceanica
[UBERON:0000329] hair root

Found 6 Sample Hits
Metabolite Species Sample
(5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)methyl 2-methylpropanoate

Formula: C17H16O2S3 (348.0312)
Adducts: [M+H-2H2O]+ (Ppm: 19.2) 		Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
(5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)methyl 2-methylpropanoate

Formula: C17H16O2S3 (348.0312)
Adducts: [M+H-2H2O]+ (Ppm: 19.2) 		Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late
(5-{[2,2'-bithiophen]-5-yl}thiophen-2-yl)methyl 2-methylpropanoate

Formula: C17H16O2S3 (348.0312)
Adducts: [M+H-2H2O]+ (Ppm: 18.9) 		Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late
Inosine 5'-monophosphate (IMP)

Formula: C10H13N4O8P (348.0471)
Adducts: [M+H-2H2O]+ (Ppm: 5.9) 		Posidonia oceanica (root)
20190828_MS1_A19r-22
Resolution: 17μm, 292x279

Description

(2r)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid

Formula: C15H10ClF3O3 (330.0271)
Adducts: [M+H-H2O]+ (Ppm: 5.6) 		Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

(2r)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid

Formula: C15H10ClF3O3 (330.0271)
Adducts: [M+H-H2O]+ (Ppm: 5) 		Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description