M/Z: 538.2051


Hit 2 annotations:  7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid_[M+H-2H2O]+; 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 4 Reference Ions Near m/z 538.2051
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_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

Found 10 Sample Hits
Metabolite Species Sample
7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 14.9) 		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

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 14.9) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 15.2) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 14.9) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 14.9) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 14.9) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 15.1) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 15.2) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

7-(3-((3-Formylphenoxy)methyl)-1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylic acid

Formula: C35H31N3O5 (573.2264)
Adducts: [M+H-2H2O]+ (Ppm: 13.8) 		Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description