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MassBank Record: KO003943

2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003943
RECORD_TITLE: 2(1H)-Quinolinone; 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 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 20 V

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

PK$SPLASH: splash10-0002-0900000000-17d48c20a0c8fb96ea5b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  49.800 153465.5 1
  55.000 79208.0 1
  59.300 24752.5 1
  60.500 34653.5 1
  61.100 148515.0 1
  64.700 14851.5 1
  69.100 282178.5 2
  71.000 212871.5 2
  71.900 163366.5 1
  75.100 14851.5 1
  81.300 24752.5 1
  83.300 688119.5 5
  84.900 29703.0 1
  85.400 34653.5 1
  86.100 59406.0 1
  87.000 34653.5 1
  91.100 118812.0 1
  92.800 113861.5 1
  96.000 158416.0 1
  97.100 89109.0 1
  101.000 188119.0 1
  111.200 881189.0 7
  114.200 227723.0 2
  118.900 54455.5 1
  128.100 30816862.5 241
  128.900 514852.0 4
  146.100 127940722.0 999
//

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