ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005013
RECORD_TITLE: 3-METHYLBENZO(G)ISOQUINOLINE; 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$NAME: 3-METHYLBENZO(G)ISOQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H11N
CH$EXACT_MASS: 193.08915
CH$SMILES: Cc(n3)cc(c1)c(c3)cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H11N/c1-10-6-13-7-11-4-2-3-5-12(11)8-14(13)9-15-10/h2-9H,1H3
CH$LINK: INCHIKEY VNYFIMAAUQDNKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60345681
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$SPLASH: splash10-0006-7900000000-b3346a8029c57d74d8d4
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  25 1.9 19
  26 8.8 88
  27 21.6 216
  29 3.24 32
  30 11.3 113
  31 13.1 131
  34 2.4 24
  36 0.52 5
  38 3.9 39
  39 16.7 167
  40 37.8 378
  41 2.16 22
  42 11.6 116
  43 28.4 284
  45 13.1 131
  46 0.4 4
  48 2.3 23
  50 6.4 64
  51 8.1 81
  52 0.48 5
  53 4.8 48
  54 5 50
  55 15.3 153
  56 0.76 8
  57 8 80
  58 2.8 28
  59 1.6 16
  60 0.55 6
  61 1.7 17
  62 4.3 43
  63 10.4 104
  64 0.39 4
  65 4.3 43
  66 2.3 23
  67 7.4 74
  68 0.44 4
  69 9.5 95
  70 6.8 68
  71 4.3 43
  72 0.17 2
  73 3.6 36
  74 6.2 62
  75 8.1 81
  76 0.62 6
  77 6.9 69
  78 5.4 54
  79 5.5 55
  80 0.26 3
  81 8.1 81
  82 12.4 124
  83 7.4 74
  84 0.6 6
  85 3.1 31
  86 3.8 38
  87 5.3 53
  88 0.27 3
  89 5.2 52
  90 1.8 18
  91 6.1 61
  92 0.28 3
  93 3 30
  94 2.4 24
  95 5 50
  96 0.73 7
  97 5.7 57
  98 5.8 58
  99 6.4 64
  100 0.85 9
  101 10.1 101
  102 3.6 36
  103 1.7 17
  104 0.17 2
  105 3.1 31
  106 1.6 16
  107 2.8 28
  108 0.31 3
  109 2.6 26
  110 2.7 27
  111 3.6 36
  112 0.24 2
  113 4.3 43
  114 2.1 21
  115 7.4 74
  116 0.17 2
  117 2.1 21
  118 1.2 12
  119 2.1 21
  120 0.14 1
  121 1.4 14
  122 1.9 19
  123 1.7 17
  124 0.18 2
  125 3.3 33
  126 5 50
  127 3.1 31
  128 0.26 3
  129 2.2 22
  133 1.9 19
  134 1.4 14
  135 0.1 1
  136 1.7 17
  137 3.4 34
  138 2.8 28
  139 1.62 16
  140 11 110
  141 3.2 32
  142 1.1 11
  149 0.14 1
  150 9.2 92
  151 9.1 91
  152 7.3 73
  153 0.38 4
  161 2.1 21
  162 3.3 33
  163 16.2 162
  164 1.73 17
  165 87.3 873
  166 32.2 322
  167 8 80
  176 0.21 2
  177 9.7 97
  178 4.2 42
  190 10.5 105
  191 1.35 14
  192 40.6 406
  193 99.99 999
  194 34.2 342
  195 3.5 35
//
