Spectrum CCMSLIB00000077028 for HYDROCORTISONE HEMISUCCINATE

Rating: (*)★(*)★(*)★(*)★(*)☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C25H34O8
462.225368048
O=C(O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1
VWQWXZAWFPZJDA-CGVGKPPMSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
462.225
1
NCP003017_A2_B11_BA6_01_15701.mzXML
MS2
GNPS-NIH-CLINICALCOLLECTION2
negarg, Garg_Neha, Dorrestein
positive
4.818408508475559
0.7663035773424877
463.234
[M+H]+
1.4289797380440519 ppm
6.619519999730983E-4 Da