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$EXACT_MASS: 145.05276
CH$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: 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.
  50.1 39604.0 3.0
  59.1 183168.0 14.0
  59.5 69307.0 5.0
  60.3 79208.0 6.0
  61.1 94059.5 7.0
  75.1 232674.0 18.0
  76.3 455446.0 35.0
  80.0 24752.5 2.0
  84.1 44554.5 3.0
  90.1 628714.0 48.0
  92.1 178218.0 14.0
  93.0 420792.0 32.0
  94.0 410892.0 31.0
  97.1 24752.5 2.0
  98.6 44554.5 3.0
  99.0 49505.0 4.0
  99.9 188119.0 14.0
  107.8 232674.0 18.0
  111.2 74257.5 6.0
  111.9 24752.5 2.0
  126.2 178218.0 14.0
  144.0 1.3104E7 999.0
//