ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004337
RECORD_TITLE: 3,3A,8A-TRIMETHYL-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$NAME: 3,3A,8A-TRIMETHYL-2,3,3A,8A-TETRAHYDROPYRROLO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈N₂
CH$EXACT_MASS: 202.14700
CH$SMILES: CC(C3)C(C)(c21)C(C)(N3)Nc(cccc2)1
CH$IUPAC: InChI=1S/C13H18N2/c1-9-8-14-13(3)12(9,2)10-6-4-5-7-11(10)15-13/h4-7,9,14-15H,8H2,1-3H3
CH$LINK: INCHIKEY OIMZBCVZFFYREK-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$SPLASH: splash10-0a4i-2910000000-ab0aa2c2e76da8d47edc
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  27 3.4 34
  28 4.7 47
  29 2.1 21
  30 0.23 2
  39 5 50
  40 1.1 11
  41 3.3 33
  42 0.81 8
  43 3.4 34
  44 1.2 12
  50 1.3 13
  51 0.5 5
  52 2.1 21
  53 2.1 21
  54 1.7 17
  55 0.21 2
  56 6.4 64
  57 1.5 15
  63 3.4 34
  64 0.16 2
  65 4.2 42
  66 1.1 11
  75 2 20
  76 0.23 2
  77 11.8 118
  78 3.8 38
  78.5 2.9 29
  79 0.27 3
  80 2.5 25
  82 1.2 12
  86 1.5 15
  87 0.21 2
  89 3.6 36
  90 2.6 26
  91 8.6 86
  92 0.15 2
  93 2.3 23
  93.5 1.6 16
  94 1.5 15
  96 0.34 3
  101 2.5 25
  102 4.3 43
  103 4.8 48
  104 0.22 2
  105 1.5 15
  106 3.2 32
  107 1.8 18
  115 1.33 13
  116 5.2 52
  117 7.7 77
  120 1.3 13
  127 0.28 3
  128 5.8 58
  129 4.5 45
  130 12.3 123
  131 0.59 6
  132 4.1 41
  133 1.3 13
  140 1.1 11
  141 0.13 1
  142 4.5 45
  143 12.1 121
  144 34.2 342
  145 1.06 11
  146 8.5 85
  147 1.3 13
  154 1.8 18
  155 0.15 2
  156 5.2 52
  157 9.4 94
  158 99.99 999
  159 6.71 67
  160 13.9 139
  161 2.1 21
  168 1.1 11
  169 0.12 1
  170 3.4 34
  171 4.4 44
  172 45 450
  173 0.77 8
  174 2.1 21
  184 1.7 17
  185 2.3 23
  186 0.18 2
  187 15.1 151
  188 3.1 31
  189 3.1 31
  200 0.13 1
  201 2.3 23
  202 35.6 356
  203 11.5 115
  204 1.3 13
//