MassBank Record: KO001155

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4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO001155
RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 144
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0006-2900000000-1989041c1ac6d8e9da9a
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  50.100 39604.0 3
  59.100 183168.5 14
  59.500 69307.0 5
  60.300 79208.0 6
  61.100 94059.5 7
  75.100 232673.5 18
  76.300 455446.0 35
  80.000 24752.5 2
  84.100 44554.5 3
  90.100 628713.5 48
  92.100 178218.0 14
  93.000 420792.5 32
  94.000 410891.5 31
  97.100 24752.5 2
  98.600 44554.5 3
  99.000 49505.0 4
  99.900 188119.0 14
  107.800 232673.5 18
  111.200 74257.5 6
  111.900 24752.5 2
  126.200 178218.0 14
  144.000 13103973.5 999
//