ACCESSION: MSBNK-Keio_Univ-KO003828
RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:10 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$LINK: KEGG C01610
CH$LINK: NIKKAJI J2.310H
CH$LINK: PUBCHEM SID:4763
CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N
CH$LINK: COMPTOX DTXSID8036788

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 472
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0000900000-6133e2c60106f3437756
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  150.300 158416.0 1
  160.000 34653.5 1
  160.400 14851.5 1
  164.500 693070.0 1
  175.400 44554.5 1
  244.300 9901.0 1
  281.200 29703.0 1
  291.600 34653.5 1
  292.400 49505.0 1
  309.500 11574269.0 22
  323.800 44554.5 1
  412.400 14851.5 1
  435.000 14851.5 1
  436.500 24752.5 1
  454.400 242574.5 1
  472.600 534530237.5 999
//