ACCESSION: MSBNK-Keio_Univ-KO003942
RECORD_TITLE: 2(1H)-Quinolinone; 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 Q001

CH$NAME: 2(1H)-Quinolinone
CH$NAME: Quinolin-2(1H)-one
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₉H₇NO
CH$EXACT_MASS: 145.05276
CH$SMILES: O=C(C=1)Nc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
CH$LINK: CAS 59-31-4
CH$LINK: CHEBI 18289
CH$LINK: KEGG C06415
CH$LINK: NIKKAJI J4.598E
CH$LINK: PUBCHEM SID:8650
CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1058769

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$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0900000000-7bbecc29f67909c2d4c2
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  35.800 89109.0 1
  50.100 5752481.0 24
  53.900 44554.5 1
  56.100 29703.0 1
  59.200 24752.5 1
  60.900 34653.5 1
  64.300 49505.0 1
  67.900 113861.5 1
  73.200 59406.0 1
  78.000 6663373.0 28
  82.100 787129.5 3
  83.400 128713.0 1
  85.000 29703.0 1
  87.100 34653.5 1
  88.400 19802.0 1
  92.300 44554.5 1
  95.800 376238.0 2
  96.900 123762.5 1
  105.100 14851.5 1
  110.400 143564.5 1
  111.300 920793.0 4
  114.000 742575.0 3
  117.100 19802.0 1
  127.900 2470299.5 10
  129.100 5628718.5 24
  131.600 9901.0 1
  142.200 19802.0 1
  145.200 54455.5 1
  146.100 237168554.0 999
  164.300 59406.0 1
//