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MassBank Record: KO003944

2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003944
RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-004i-0900000000-eab2508f953ecb486d73
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  42.700 39604.0 1
  55.100 267327.0 3
  57.200 24752.5 1
  61.000 64356.5 1
  64.700 19802.0 1
  69.200 252475.5 3
  70.900 123762.5 1
  72.000 128713.0 2
  74.800 79208.0 1
  77.100 1202971.5 14
  79.200 24752.5 1
  80.900 19802.0 1
  83.300 232673.5 3
  84.900 34653.5 1
  87.100 44554.5 1
  91.200 1727724.5 20
  91.800 14851.5 1
  93.300 24752.5 1
  95.200 99010.0 1
  96.900 14851.5 1
  101.100 4311885.5 51
  102.100 198020.0 2
  102.800 44554.5 1
  111.300 118812.0 1
  113.200 34653.5 1
  113.900 64356.5 1
  116.800 94059.5 1
  118.300 143564.5 2
  119.100 529703.5 6
  119.900 39604.0 1
  127.200 183168.5 2
  128.100 84990184.0 999
  129.300 128713.0 2
  145.700 945545.5 11
  146.200 19950515.0 235
  146.800 14851.5 1
  184.300 14851.5 1
  217.400 29703.0 1
//

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