ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005097
RECORD_TITLE: 4,6-DIHYDROXY-2-METHYLQUINOLINE; 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$NAME: 4,6-DIHYDROXY-2-METHYLQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9NO2
CH$EXACT_MASS: 175.06333
CH$SMILES: Oc(c2)cc(c(O)1)c(c2)nc(C)c1
CH$IUPAC: InChI=1S/C10H9NO2/c1-6-4-10(13)8-5-7(12)2-3-9(8)11-6/h2-5,12H,1H3,(H,11,13)
CH$LINK: INCHIKEY NAGZLUGXHAFMPW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:600276
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$SPLASH: splash10-004s-9700000000-9e9269ec0d487e3efe8e
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  26 6.2 62
  27 13.6 136
  29 6.9 69
  36 0.33 3
  37 3.7 37
  38 11.1 111
  39 37 370
  40 0.86 9
  41 6.2 62
  42 9.1 91
  43 4.1 41
  45 0.12 1
  49 1.2 12
  50 12.3 123
  51 24.6 246
  52 2.76 28
  53 18.6 186
  54 4.9 49
  55 6.2 62
  57 0.12 1
  58 1.2 12
  58.5 6.6 66
  59 2.1 21
  62 0.99 10
  63 18.6 186
  64 7.4 74
  64.5 6.2 62
  65 1.48 15
  66 4.5 45
  67 7.4 74
  68 6.6 66
  69 0.12 1
  73 5.8 58
  73.5 6.6 66
  74 4.1 41
  75 0.62 6
  77 9.9 99
  78 8.6 86
  79 4.5 45
  80 0.7 7
  81 3.3 33
  87 35 350
  87.5 6.2 62
  88 0.21 2
  89 5.8 58
  90 5.3 53
  91 14 140
  92 0.45 5
  93 2.5 25
  101 2.1 21
  102 2.5 25
  103 0.21 2
  104 2.5 25
  105 6.2 62
  106 4.9 49
  107 0.58 6
  108 7.4 74
  109 4.9 49
  116 2.9 29
  117 1.11 11
  118 16 160
  119 5.3 53
  120 2.1 21
  128 0.25 3
  130 3.3 33
  131 1.2 12
  132 2.5 25
  133 0.16 2
  134 4.5 45
  135 1.2 12
  136 4.1 41
  145 0.53 5
  146 50 500
  147 36.7 367
  148 5.3 53
  159 0.25 3
  160 3.3 33
  174 11.1 111
  175 99.99 999
  176 1.65 17
  177 2.1 21
//
