Spectrum CCMSLIB00000078280 for "Rifampin (Rifadin, Rimactane)"

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
13292-46-1
C43H58N4O12
822.4051232959999
O=C(OC1C(C)C(OC)C=COC2(OC3=C(C2=O)C4=C(O)C(C=NN5CCN(C)CC5)=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)C(O)=C4C(O)=C3C)C)C
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23-,24+,25-,29+,34+,35-,39-,43-/m1/s1
JQXXHWHPUNPDRT-KAZAQTTFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
822.405
1
Plate4_61_88_GH5_01_16506.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
5.187180882870268
0.7762790453375642
823.412
[M+H]+
1.3277630152440703 ppm
-0.0010932959999081504 Da