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 556.2206
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000060385 Unreliable 556.2196 556.2196 ~ 556.2196
MzDiff: 0.1 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)
3.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000059267 Unavailable 556.2202 556.2202 ~ 556.2202
MzDiff: none
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)
-1.04 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059657 Unreliable 556.2202 556.2202 ~ 556.2202
MzDiff: none
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)
0.96 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000061774 Unavailable 556.2206 556.2206 ~ 556.2206
MzDiff: none
Rociletinib (BioDeep_00000182999)
Formula: C27H28F3N7O3 (555.2206)
-0.39 (100%) Mus musculus
[UBERON:0000956] cerebral cortex

Found 10 Sample Hits
Metabolite Species Sample
Rociletinib

Formula: C27H28F3N7O3 (555.2206)
Adducts: [M+H]+ (Ppm: 13.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Rociletinib

Formula: C27H28F3N7O3 (555.2206)
Adducts: [M+H]+ (Ppm: 13.7)
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-H2O]+ (Ppm: 5.2)
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-H2O]+ (Ppm: 5.2)
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-H2O]+ (Ppm: 5.2)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

Rociletinib

Formula: C27H28F3N7O3 (555.2206)
Adducts: [M+H]+ (Ppm: 13)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

Rociletinib

Formula: C27H28F3N7O3 (555.2206)
Adducts: [M+H]+ (Ppm: 13)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

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-H2O]+ (Ppm: 6.2)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

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-H2O]+ (Ppm: 6.2)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

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-H2O]+ (Ppm: 6.2)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description