ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002788
RECORD_TITLE: AMINOGLUTETHIMIDE; 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$NAME: AMINOGLUTETHIMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆N₂O₂
CH$EXACT_MASS: 232.12118
CH$SMILES: Nc(c2)ccc(c2)C(CC)(C1)C(=O)NC(=O)C1
CH$IUPAC: InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
CH$LINK: INCHIKEY ROBVIMPUHSLWNV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022589

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ue9-5960000000-f9b33cb2d18e6b01ae76
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  39 6 60
  40 3.3 33
  41 5.9 59
  42 0.3 3
  43 3.1 31
  44 3.9 39
  45 0.9 9
  50 0.17 2
  51 4 40
  52 3.1 31
  53 3 30
  54 0.37 4
  55 4.8 48
  56 2.7 27
  57 3.4 34
  58 0.01 0
  63 3.1 31
  64 1.9 19
  65 7.8 78
  66 0.39 4
  67 3.1 31
  68 1.3 13
  69 2.5 25
  70 0.02 0
  71 2.7 27
  72 0.1 1
  73 0.9 9
  74 0.09 1
  75 1.9 19
  76 2 20
  77 7.9 79
  78 0.37 4
  79 2.9 29
  80 1.9 19
  81 1.9 19
  82 0.28 3
  83 2 20
  84 0.9 9
  88 2.3 23
  89 0.03 0
  90 2 20
  91 5.9 59
  92 2.9 29
  93 0.66 7
  94 5.7 57
  95 1.9 19
  101 1 10
  102 0.02 0
  103 3.9 39
  104 3.8 38
  105 2.8 28
  106 0.06 1
  107 2.3 23
  108 0.9 9
  114 0.9 9
  115 0.08 1
  116 3.6 36
  117 9.9 99
  118 10.9 109
  119 0.43 4
  120 2.7 27
  121 1.4 14
  122 0.2 2
  127 0.19 2
  128 1.8 18
  129 1.9 19
  130 11 110
  131 0.69 7
  132 36.7 367
  133 6.4 64
  134 1.7 17
  142 0.09 1
  143 2.3 23
  144 3 30
  145 3.9 39
  146 0.67 7
  147 7.3 73
  148 3.1 31
  149 1.9 19
  150 0.01 0
  151 0.3 3
  158 3.8 38
  159 2.6 26
  160 0.95 10
  161 3.7 37
  162 1.9 19
  172 3 30
  173 0.01 0
  174 1.7 17
  175 32.5 325
  176 5.1 51
  177 0.25 3
  186 0.9 9
  187 6.9 69
  188 2.3 23
  203 99.99 999
  204 16.9 169
  205 2.6 26
  231 0.2 2
  232 0.65 7
  233 11.4 114
  234 1.9 19
//