ACCESSION: MSBNK-Keio_Univ-KO003946
RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0fb9-9600000000-49b69bac042454afc6c9
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  40.800 14851.5 2
  50.900 569307.5 60
  55.000 39604.0 4
  65.100 287129.0 30
  75.100 6628719.5 695
  76.300 242574.5 25
  77.000 9524762.0 999
  84.700 9901.0 1
  88.300 79208.0 8
  88.800 69307.0 7
  90.100 44554.5 5
  91.000 1524754.0 160
  92.200 59406.0 6
  95.200 361386.5 38
  99.000 44554.5 5
  100.000 128713.0 14
  101.000 7668324.5 804
  102.100 2301982.5 241
  116.300 29703.0 3
  119.200 485149.0 51
  120.300 178218.0 19
  126.100 39604.0 4
  127.000 371287.5 39
  128.000 2504953.0 263
  129.100 113861.5 12
//