ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002057
RECORD_TITLE: 4-METHYLQUINOLIN-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYLQUINOLIN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₉NO
CH$EXACT_MASS: 159.06841
CH$SMILES: Oc(c1)nc(c2)c(ccc2)c(C)1
CH$IUPAC: InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
CH$LINK: INCHIKEY APLVPBUBDFWWAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20976132

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kb-6900000000-3cab4658fb8de003524b
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  29 5 50
  31 1.4 14
  36 1 10
  38 0.54 5
  39 13.4 134
  40 6.2 62
  41 3.6 36
  42 0.19 2
  43 3.5 35
  45 1.7 17
  50 5.8 58
  51 0.65 7
  52 3.6 36
  53 2.3 23
  54 1.2 12
  55 0.24 2
  56 1.1 11
  57 1.5 15
  58 1.8 18
  59 0.16 2
  60 1.2 12
  61 3.7 37
  62 9.1 91
  63 2.2 22
  64 8.5 85
  65 2.4 24
  66 1.2 12
  67 0.13 1
  69 1.2 12
  73 1.3 13
  74 2 20
  75 0.28 3
  76 2.7 27
  77 2.5 25
  78 2.9 29
  81 0.11 1
  86 1.6 16
  87 2.4 24
  88 3.5 35
  89 2.68 27
  90 29.3 293
  91 4.6 46
  98 1 10
  99 0.12 1
  100 2 20
  101 2 20
  114 1.1 11
  115 0.2 2
  116 11 110
  117 69.5 695
  118 7.6 76
  145 99.99 999
  146 9.8 98
//