ACCESSION: MSBNK-Keio_Univ-KO003829
RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-05fr-0005900000-a760a4943250cd5405b9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  97.300 34653.5 1
  117.800 19802.0 1
  122.800 14851.5 1
  131.900 29703.0 1
  150.400 3698023.5 16
  160.100 534654.0 2
  164.300 20504971.0 87
  192.400 153465.5 1
  196.600 24752.5 1
  202.000 49505.0 1
  230.000 14851.5 1
  232.400 69307.0 1
  232.700 19802.0 1
  264.200 153465.5 1
  281.300 430693.5 2
  291.500 792080.0 3
  292.400 688119.5 3
  295.400 49505.0 1
  305.700 24752.5 1
  309.500 134807065.5 571
  437.000 44554.5 1
  454.600 2024754.5 9
  471.900 1099011.0 5
  472.600 235727958.5 999
//