ACCESSION: MSBNK-Keio_Univ-KO003170
RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-004l-9400000000-0311b09f98a367a86eeb
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40.800 39604.0 7
  53.000 69307.0 12
  54.900 138614.0 25
  57.300 24752.5 4
  58.900 19802.0 4
  61.100 34653.5 6
  65.100 331683.5 60
  70.300 29703.0 5
  71.300 39604.0 7
  74.400 69307.0 12
  77.000 5549510.5 999
  78.100 99010.0 18
  90.000 217822.0 39
  91.000 4514856.0 813
  92.800 79208.0 14
  94.200 153465.5 28
  95.200 351485.5 63
  101.000 252475.5 45
  102.700 44554.5 8
  104.300 797030.5 143
  104.900 39604.0 7
  116.300 54455.5 10
  117.200 1316833.0 237
  118.300 698020.5 126
  119.300 24752.5 4
  127.800 490099.5 88
  146.300 1811883.0 326
//