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 593.33
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006597 Reliable 593.3339 593.3338 ~ 593.334
MzDiff: 0.8 ppm
N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan (BioDeep_00000172820)
Formula: C35H44N6O5 (628.3373)
5.56 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000017914 Unreliable 593.33 593.33 ~ 593.33
MzDiff: none
(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate (BioDeep_00002072764)
Formula: C32H48O10 (592.3247)
0.24 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000004062 Unreliable 593.329 593.329 ~ 593.329
MzDiff: none
Mesobilirubinogen (BioDeep_00000003497)
Formula: C33H44N4O6 (592.3261)
1.09 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000016388 Unreliable 593.33 593.33 ~ 593.33
MzDiff: none
(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate (BioDeep_00002072764)
Formula: C32H48O10 (592.3247)
0.9 (100%) Vitis vinifera
[PO:0009086] endocarp

Found 8 Sample Hits
Metabolite Species Sample
Mesobilirubinogen

Formula: C33H44N4O6 (592.3261)
Adducts: [M+H]+ (Ppm: 7.3)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

Formula: C32H48O10 (592.3247)
Adducts: [M+H]+ (Ppm: 3.4)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

Formula: C32H48O10 (592.3247)
Adducts: [M+H]+ (Ppm: 3.4)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

(3as,3br,5ar,9as,9br,11ar)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate

Formula: C32H48O10 (592.3247)
Adducts: [M+H]+ (Ppm: 3.4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan

Formula: C35H44N6O5 (628.3373)
Adducts: [M+H-2H2O]+ (Ppm: 16.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan

Formula: C35H44N6O5 (628.3373)
Adducts: [M+H-2H2O]+ (Ppm: 16.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan

Formula: C35H44N6O5 (628.3373)
Adducts: [M+H-2H2O]+ (Ppm: 16.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

N-(N-(N-((Hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-D-tryptophyl)-D-tryptophan

Formula: C35H44N6O5 (628.3373)
Adducts: [M+H-2H2O]+ (Ppm: 16.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description