ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008123
RECORD_TITLE: 3-METHYLPHENYLAMINO-2-METHYL-2-BUTEN-4-OLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYLPHENYLAMINO-2-METHYL-2-BUTEN-4-OLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H13NO2
CH$EXACT_MASS: 203.09463
CH$SMILES: O=C(O2)C(C)=C(C2)N(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H13NO2/c1-9-11(8-15-12(9)14)13(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
CH$LINK: INCHIKEY KSQNRBUGSVRPHY-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-3960000000-bd3f9813720c6b13a034
PK$NUM_PEAK: 114
PK$PEAK: m/z int. rel.int.
  39 0.7 7
  41 1.74 17
  42 2.35 24
  43 0.76 8
  51 2.17 22
  52 0.38 4
  53 0.77 8
  54 0.43 4
  55 1.37 14
  56 0.97 10
  57 1.71 17
  60 0.38 4
  61 0.39 4
  65 1.14 11
  66 1.91 19
  67 0.84 8
  68 7.89 79
  69 1.76 18
  70 0.6 6
  71 1.29 13
  72 0.6 6
  73 0.61 6
  76 0.42 4
  77 16.05 161
  78 2.71 27
  79 1.49 15
  80 0.44 4
  81 0.85 9
  82 0.84 8
  83 2.83 28
  84 0.36 4
  85 0.86 9
  89 0.53 5
  90 0.42 4
  91 5.42 54
  92 0.91 9
  93 0.58 6
  94 0.35 4
  95 0.66 7
  96 4.54 45
  97 0.8 8
  98 0.43 4
  99 0.45 5
  101 0.37 4
  102 0.66 7
  103 3.49 35
  104 5.58 56
  105 4.5 45
  106 2.54 25
  107 2.86 29
  108 0.47 5
  109 0.52 5
  111 0.5 5
  112 30.48 305
  113 2.09 21
  114 0.39 4
  115 2.38 24
  116 1.43 14
  117 2.62 26
  118 3.34 33
  119 0.6 6
  120 1.07 11
  121 0.38 4
  123 0.45 5
  124 0.3 3
  125 0.36 4
  127 0.49 5
  128 1.59 16
  129 2.69 27
  130 8.11 81
  131 6.23 62
  132 4.97 50
  133 0.91 9
  134 0.48 5
  136 0.36 4
  137 0.42 4
  138 0.3 3
  141 0.39 4
  142 1.33 13
  143 4.21 42
  144 12.97 130
  145 5.1 51
  146 12.9 129
  147 1.79 18
  148 1.39 14
  149 5.52 55
  150 0.68 7
  151 0.3 3
  155 0.32 3
  156 14.6 146
  157 3.19 32
  158 16.58 166
  159 2.86 29
  160 1.61 16
  161 0.39 4
  170 0.36 4
  171 0.35 4
  172 0.81 8
  173 0.89 9
  174 4.96 50
  175 1.58 16
  176 0.31 3
  184 0.92 9
  185 0.45 5
  186 0.42 4
  187 0.43 4
  188 1.58 16
  200 0.73 7
  201 0.57 6
  202 14.57 146
  203 99.99 999
  204 16.85 169
  205 2.21 22
  206 0.63 6
//
