ACCESSION: MSBNK-Keio_Univ-KO003945
RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-004i-3900000000-b24ff70f06fbce55586d
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40.800 34653.5 1
  43.300 9901.0 1
  50.800 44554.5 1
  55.300 118812.0 4
  59.100 34653.5 1
  65.000 128713.0 4
  67.000 39604.0 1
  69.100 59406.0 2
  69.400 14851.5 1
  70.900 54455.5 2
  71.800 19802.0 1
  75.100 2252477.5 75
  76.900 11143575.5 369
  82.900 34653.5 1
  88.700 24752.5 1
  89.700 29703.0 1
  91.100 4836638.5 160
  91.900 133663.5 4
  95.200 643565.0 21
  99.600 19802.0 1
  101.000 20302000.5 673
  102.000 2569309.5 85
  117.000 178218.0 6
  117.400 54455.5 2
  118.200 94059.5 3
  119.300 1762378.0 58
  120.300 435644.0 14
  125.900 44554.5 1
  127.000 450495.5 15
  128.000 30153495.5 999
  128.900 277228.0 9
  146.300 1386140.0 46
//