M/Z: 538.1987


Hit 1 annotations:  3-Demethylsimmondsin 2'-(Z)-ferulate_[M+H]+


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 6 Reference Ions Near m/z 538.1987
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020458 Reliable 538.1984 538.1981 ~ 538.1987
MzDiff: 2.7 ppm
3-Demethylsimmondsin 2'-(Z)-ferulate (BioDeep_00000025239)
Formula: C25H31NO12 (537.1846)
5.02 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007338 Reliable 538.2045 538.2043 ~ 538.2045
MzDiff: 1.0 ppm
7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid (BioDeep_00000175068)
Formula: C35H31N3O5 (573.2264)
6.35 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008290 Reliable 538.1984 538.1981 ~ 538.1987
MzDiff: 2.7 ppm
3-Demethylsimmondsin 2'-(Z)-ferulate (BioDeep_00000025239)
Formula: C25H31NO12 (537.1846)
12.38 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020931 Reliable 538.1905 538.1903 ~ 538.1906
MzDiff: 1.5 ppm
Fluticasone furoate (BioDeep_00000179167)
Formula: C27H29F3O6S (538.1637)
4.13 (89%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000008601 Reliable 538.2045 538.2043 ~ 538.2045
MzDiff: 1.0 ppm
7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid (BioDeep_00000175068)
Formula: C35H31N3O5 (573.2264)
8.58 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000008695 Reliable 538.1905 538.1903 ~ 538.1906
MzDiff: 1.5 ppm
Fluticasone furoate (BioDeep_00000179167)
Formula: C27H29F3O6S (538.1637)
8.75 (86%) Rattus norvegicus
[UBERON:0004360] cauda epididymis

Found 12 Sample Hits
Metabolite Species Sample
3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 11.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 15.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 11.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 11.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 11.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 13.2)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

3-Demethylsimmondsin 2'-(Z)-ferulate

Formula: C25H31NO12 (537.1846)
Adducts: [M+H]+ (Ppm: 12.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description