Spectrum CCMSLIB00000075305 for Erythromycin A

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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
InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
C37H67NO13
733.461241204
O=C1OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C1C)C
ULGZDMOVFRHVEP-RWJQBGPGSA-N

Mass Spectral Metadata

NameValue
positive
2.0116483369643654
DI-ESI
commercial
Ion Trap
733.461
1
Erythromycin_A_IT_734mz.mzXML
MS2
GNPS-LIBRARY
Roland Kersten, Dorrestein/Moore, mcruesemann
0.368749757241827
734.5
[M+H]+
41.91803403679289 ppm
0.030788796000024377 Da