MassBank Record: MSBNK-Keio_Univ-KO003168
ACCESSION: MSBNK-Keio_Univ-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$EXACT_MASS: 145.05276
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$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
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50.200 519802.5 15
54.900 143564.5 4
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127.900 163366.5 5
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146.100 33821816.0 999
//