MassBank Record: KO001688

Home Search Record Index Data Privacy Imprint

Puromycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001688
RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P075

CH$NAME: Puromycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H29N7O5
CH$EXACT_MASS: 471.22302
CH$SMILES: COc(c4)ccc(c4)CC(N)C(=O)NC(C(CO)3)C(O)C(O3)n(c2)c(n1)c(n2)c(N(C)C)nc1
CH$IUPAC: InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
CH$LINK: CAS 53-79-2
CH$LINK: CHEBI 17939
CH$LINK: COMPTOX DTXSID8036788
CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N
CH$LINK: KEGG C01610
CH$LINK: NIKKAJI J2.310H
CH$LINK: PUBCHEM SID:4763

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE: MS2
AC$MASS_SPECTROMETRY: ION_MODE: NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 470
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0900000000-af8be24075f803a58153
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  92.6 188119.0 3.0
  124.7 9901.0 1.0
  147.0 89109.0 1.0
  162.1 6.59951E7 999.0
  193.6 193070.0 3.0
  233.0 14851.5 1.0
  249.3 99010.0 1.0
  259.5 34653.5 1.0
  260.7 14851.5 1.0
  279.3 14851.5 1.0
  307.5 133664.0 2.0
  470.6 292080.0 4.0
//