ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007872
RECORD_TITLE: 1,8-DIACETYL-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$NAME: 1,8-DIACETYL-3A,8A-DIMETHYL-2,3,3A,8A-TETRAHYDROPYRROLO(2,3-B)INDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20N2O2
CH$EXACT_MASS: 272.15248
CH$SMILES: CC(=O)N(C3)C(C)(N(C(C)=O)1)C(C)(C3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H20N2O2/c1-11(19)17-10-9-15(3)13-7-5-6-8-14(13)18(12(2)20)16(15,17)4/h5-8H,9-10H2,1-4H3
CH$LINK: INCHIKEY NORSOMFTOWCIQC-UHFFFAOYSA-N
AC$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: splash10-000t-4920000000-1c334c0862c3b68ee7e1
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 8.4 84
  29 4.1 41
  30 0.48 5
  39 6.2 62
  40 3.1 31
  41 9.8 98
  42 1 10
  43 38.5 385
  50 1.6 16
  51 3.6 36
  52 0.16 2
  53 2.4 24
  54 2.2 22
  55 6.4 64
  56 0.31 3
  57 2.6 26
  58 2.6 26
  60 1.5 15
  63 0.23 2
  64 1.4 14
  65 3.1 31
  66 1.2 12
  67 0.23 2
  68 1.6 16
  69 2.2 22
  70 1.8 18
  75 0.18 2
  76 2.3 23
  77 8.8 88
  78 3.5 35
  79 0.26 3
  80 1.4 14
  81 2.2 22
  82 2.3 23
  83 0.16 2
  86 2.4 24
  89 2.6 26
  90 1.6 16
  91 0.8 8
  92 2 20
  93 1.5 15
  94 1.8 18
  95 0.19 2
  96 3.1 31
  97 1.6 16
  100 1.4 14
  101 0.23 2
  102 3.5 35
  103 4.9 49
  104 1.8 18
  105 0.15 2
  106 1.5 15
  115 11.8 118
  116 4.9 49
  117 0.53 5
  118 2.9 29
  119 1.2 12
  127 2.7 27
  128 0.53 5
  129 4.2 42
  130 15.3 153
  131 5.3 53
  132 0.35 4
  141 1.4 14
  142 3.5 35
  143 11.8 118
  144 6.6 66
  145 99.99 999
  146 15.6 156
  147 2.2 22
  154 0.19 2
  155 2.3 23
  156 7.8 78
  157 7.3 73
  158 3.08 31
  159 6.8 68
  160 1.8 18
  167 1.2 12
  168 0.16 2
  169 2 20
  170 5.9 59
  171 7.5 75
  172 0.65 7
  173 6.3 63
  174 1.5 15
  182 1.1 11
  183 0.11 1
  184 1.9 19
  185 2.6 26
  186 2.2 22
  187 0.49 5
  188 1.9 19
  212 1.1 11
  213 1.1 11
  215 3.18 32
  216 5.7 57
  230 59.2 592
  231 9.8 98
  239 0.12 1
  272 4.1 41
//
