ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004341
RECORD_TITLE: 7-METHOXY-3A,8A-DIMETHYL-2,3,3A,8A-TETRAHYDROPYRROLO(2,3-B)INDOLE; 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$NAME: 7-METHOXY-3A,8A-DIMETHYL-2,3,3A,8A-TETRAHYDROPYRROLO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18N2O
CH$EXACT_MASS: 218.14191
CH$SMILES: COc(c3)c(N1)c(cc3)C(C)(C2)C(C)(NC2)1
CH$IUPAC: InChI=1S/C13H18N2O/c1-12-7-8-14-13(12,2)15-11-9(12)5-4-6-10(11)16-3/h4-6,14-15H,7-8H2,1-3H3
CH$LINK: INCHIKEY JEXUCNIZYMSPIW-UHFFFAOYSA-N
AC$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: splash10-004i-3910000000-aa95138610e3517770ed
PK$NUM_PEAK: 127
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 6.7 67
  29 2.6 26
  30 1.24 12
  31 1 10
  39 8.1 81
  40 1.9 19
  41 0.72 7
  42 10.7 107
  43 4.8 48
  50 2.2 22
  51 0.63 6
  52 4.3 43
  53 4.8 48
  54 3.3 33
  55 0.69 7
  56 4 40
  57 1.7 17
  59 1.8 18
  62 0.12 1
  63 5.2 52
  65 6.5 65
  66 2 20
  67 0.18 2
  68 1.5 15
  69 1 10
  71 1.8 18
  75 0.2 2
  76 2.6 26
  77 36.7 367
  78 6 60
  79 0.4 4
  80 7.3 73
  82 2.1 21
  83 1.4 14
  84 0.23 2
  85 1.4 14
  86 2.4 24
  87 1.6 16
  88 0.12 1
  89 5.6 56
  90 2.8 28
  91 7.9 79
  92 0.3 3
  93 3.1 31
  94 7.6 76
  95 3.9 39
  96 0.61 6
  97 1.3 13
  101 3 30
  101.5 3.4 34
  102 0.42 4
  103 7.2 72
  104 4.3 43
  105 2.9 29
  106 0.17 2
  108 8 80
  109 2.1 21
  114 1.1 11
  115 1.07 11
  116 5.6 56
  117 10.2 102
  118 5.5 55
  119 0.21 2
  120 1.7 17
  121 1.1 11
  123 3.2 32
  127 0.24 2
  128 4.5 45
  129 4.4 44
  130 12.4 124
  131 1.18 12
  132 15.8 158
  133 4.4 44
  134 4.4 44
  135 0.13 1
  136 1.2 12
  140 1.7 17
  141 2.4 24
  142 0.4 4
  143 8.6 86
  144 15.7 157
  145 16.4 164
  146 1.7 17
  147 6.5 65
  148 34 340
  149 1.8 18
  154 0.2 2
  155 1.8 18
  156 7.7 77
  157 6 60
  158 1.24 12
  159 8.7 87
  160 28.6 286
  161 7.6 76
  162 1.07 11
  163 3.9 39
  168 1.2 12
  169 1.2 12
  170 0.74 7
  171 4.4 44
  172 9.6 96
  173 20.2 202
  174 7.17 72
  175 99.99 999
  176 18.4 184
  177 6.6 66
  184 0.16 2
  185 2.6 26
  186 6.6 66
  187 20 200
  188 2.55 26
  189 5.8 58
  190 5.5 55
  198 1.7 17
  199 0.28 3
  200 5.9 59
  201 5.3 53
  202 6.6 66
  203 1.24 12
  204 2.6 26
  212 1 10
  214 2.2 22
  216 0.14 1
  217 3 30
  218 37.5 375
  219 7.1 71
//
