MassBank Record: KO003168

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4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003168
RECORD_TITLE: 4-Hydroxyquinoline; 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 H139

CH$NAME: 4-Hydroxyquinoline
CH$NAME: Quinolin-4-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.052760000000006357367965392768383026123046875
CH$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: COMPTOX DTXSID50209980
CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N
CH$LINK: KEGG C06343
CH$LINK: NIKKAJI J7.017C
CH$LINK: PUBCHEM SID:8579

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$SPLASH: splash10-0002-0900000000-36895a44b4bde8c0b696
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  36.200 24752.5 1
  46.200 89109.0 3
  50.200 519802.5 15
  54.900 143564.5 4
  59.300 49505.0 1
  61.200 331683.5 10
  69.200 331683.5 10
  69.400 44554.5 1
  70.900 262376.5 8
  72.100 138614.0 4
  72.700 69307.0 2
  73.700 24752.5 1
  76.600 34653.5 1
  81.900 49505.0 1
  83.200 792080.0 23
  87.800 103960.5 3
  91.000 84158.5 2
  92.900 84158.5 2
  97.000 118812.0 4
  101.300 79208.0 2
  104.100 94059.5 3
  105.100 49505.0 1
  111.300 712872.0 21
  114.200 366337.0 11
  117.000 29703.0 1
  118.100 212871.5 6
  127.900 163366.5 5
  129.000 599010.5 18
  144.800 29703.0 1
  146.100 33821816.0 999
//