ACCESSION: MSBNK-Keio_Univ-KO003171
RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:50 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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004l-9100000000-ddb3d7a7c9d6443f5a30
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40.900 34653.5 12
  43.600 24752.5 9
  45.600 19802.0 7
  51.000 222772.5 77
  55.000 24752.5 9
  63.900 59406.0 20
  64.900 787129.5 272
  74.300 19802.0 7
  75.100 123762.5 43
  77.000 2896042.5 999
  77.900 59406.0 20
  89.100 158416.0 55
  90.300 301980.5 104
  91.200 1732675.0 598
  95.400 178218.0 61
  101.400 89109.0 31
  104.000 44554.5 15
  105.900 24752.5 9
  117.300 455446.0 157
  118.400 34653.5 12
  128.200 49505.0 17
  145.900 54455.5 19
//