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MassBank Record: KO003169

4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003169
RECORD_TITLE: 4-Hydroxyquinoline; 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 H139

CH$NAME: 4-Hydroxyquinoline
CH$NAME: Quinolin-4-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: Oc(c1)c(c2)c(ccc2)nc1
CH$IUPAC: InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
CH$LINK: CAS 611-36-9
CH$LINK: CHEBI 15815
CH$LINK: KEGG C06343
CH$LINK: NIKKAJI J7.017C
CH$LINK: PUBCHEM SID:8579
CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50209980

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$SPLASH: splash10-0002-2900000000-9c8f00fff655103b0c3d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43.100 29703.0 2
  55.000 222772.5 14
  58.900 24752.5 2
  60.900 128713.0 8
  69.000 237624.0 15
  70.900 133663.5 9
  72.700 29703.0 2
  77.000 1603962.0 103
  78.400 24752.5 2
  80.900 19802.0 1
  83.100 188119.0 12
  87.700 29703.0 2
  91.000 2054457.5 132
  92.800 39604.0 3
  94.200 113861.5 7
  95.200 242574.5 16
  96.900 49505.0 3
  100.000 19802.0 1
  104.100 1460397.5 94
  105.100 148515.0 10
  114.300 59406.0 4
  117.100 574258.0 37
  118.000 1623764.0 105
  128.000 920793.0 59
  146.100 15490114.5 999
//

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