ACCESSION: MSBNK-Keio_Univ-KO001157
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-0006-2900000000-61b019bbf150b6b387eb
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  45.800 9901.0 3
  59.400 163366.5 57
  59.900 138614.0 49
  61.500 94059.5 33
  89.900 9901.0 3
  93.500 287129.0 101
  111.400 9901.0 3
  116.100 69307.0 24
  144.300 2846537.5 999
//