ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003870
RECORD_TITLE: MEPROBAMATE; 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$NAME: MEPROBAMATE
CH$NAME: 2-METHYL-2-PROPYL-1,3-PROPANEDIOL DICARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈N₂O₄
CH$EXACT_MASS: 218.12666
CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)
CH$LINK: INCHIKEY NPPQSCRMBWNHMW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023261

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-053u-9100000000-d890d15ca6738ce72f60
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  26 0.1 1
  27 5.4 54
  28 5.8 58
  29 0.89 9
  30 1 10
  31 8.4 84
  32 0.6 6
  38 0.02 0
  39 6.1 61
  40 1.7 17
  41 23.5 235
  42 0.51 5
  43 17.9 179
  44 23.7 237
  45 15.8 158
  46 0.29 3
  47 0.9 9
  51 0.4 4
  52 0.3 3
  53 0.33 3
  54 2.7 27
  55 59.4 594
  56 25.9 259
  57 1.09 11
  58 3.9 39
  59 10.9 109
  60 0.9 9
  61 0.01 0
  62 30.4 304
  63 0.9 9
  64 0.1 1
  65 0.01 0
  66 0.8 8
  67 5.2 52
  68 3.9 39
  69 0.99 10
  70 2.8 28
  71 44.9 449
  72 9.9 99
  73 0.12 1
  74 1.8 18
  75 19.4 194
  76 1.6 16
  77 0.07 1
  79 1.2 12
  80 0.3 3
  81 16.1 161
  82 0.33 3
  83 99.99 999
  84 24.9 249
  85 5.7 57
  86 0.24 2
  87 0.4 4
  88 0.4 4
  89 0.7 7
  92 0.38 4
  93 0.6 6
  94 0.1 1
  95 1.3 13
  96 4.39 44
  97 5.3 53
  98 0.9 9
  99 3.4 34
  100 0.25 3
  101 13.2 132
  102 1.5 15
  103 0.1 1
  104 0.14 1
  105 1 10
  112 0.1 1
  113 1.1 11
  114 4.21 42
  115 5.9 59
  116 0.9 9
  117 0.2 2
  131 0.05 1
  132 1.3 13
  133 0.1 1
  135 1.5 15
  136 0.08 1
  142 0.8 8
  144 34.9 349
  145 3.1 31
  146 0.03 0
  157 1.8 18
  158 0.9 9
  159 0.1 1
  174 0.03 0
  175 0.6 6
//