ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003873
RECORD_TITLE: CARISOPRODOL; 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$NAME: CARISOPRODOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄N₂O₄
CH$EXACT_MASS: 260.17361
CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C
CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
CH$LINK: INCHIKEY OFZCIYFFPZCNJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024733

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$SPLASH: splash10-0a4i-9200000000-7ee2bc67a583d40d99b8
PK$NUM_PEAK: 111
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 8.8 88
  28 6.7 67
  29 0.94 9
  30 1.3 13
  31 6.7 67
  38 0.1 1
  39 0.06 1
  40 2 20
  41 27.4 274
  42 8.7 87
  43 0.53 5
  44 27.4 274
  45 9.5 95
  46 1.5 15
  47 0.05 1
  51 0.9 9
  52 0.9 9
  53 3.4 34
  54 0.24 2
  55 77.4 774
  56 37.7 377
  57 12 120
  58 99.99 999
  59 11.9 119
  60 2.9 29
  61 0.9 9
  62 3.94 39
  63 1.5 15
  64 0.6 6
  65 0.9 9
  66 0.05 1
  67 4.1 41
  68 3.4 34
  69 17.9 179
  70 1.19 12
  71 28.9 289
  72 10.9 109
  73 3.9 39
  74 0.19 2
  75 4.9 49
  76 0.9 9
  77 0.9 9
  79 0.09 1
  80 0.6 6
  81 6.9 69
  82 1.9 19
  83 2.89 29
  84 23.9 239
  85 5.9 59
  86 13.9 139
  87 0.13 1
  88 4.9 49
  89 0.9 9
  90 0.5 5
  91 0.03 0
  92 1.1 11
  93 0.1 1
  94 0.1 1
  95 0.19 2
  96 10.1 101
  97 55.4 554
  98 11.4 114
  99 0.03 0
  100 1.9 19
  101 5.9 59
  102 8.9 89
  103 0.13 1
  104 43.5 435
  105 2.2 22
  106 0.4 4
  112 0.02 0
  113 0.9 9
  114 13.9 139
  115 9.1 91
  116 0.13 1
  117 1.4 14
  118 0.9 9
  119 0.3 3
  123 0.09 1
  131 0.8 8
  132 0.9 9
  133 0.2 2
  134 0.03 0
  140 0.5 5
  142 0.2 2
  143 0.2 2
  144 0.37 4
  145 0.8 8
  147 1.1 11
  157 2 20
  158 4.09 41
  159 4.4 44
  160 0.7 7
  174 0.6 6
  175 0.07 1
  176 5.9 59
  177 0.9 9
  184 9.4 94
  185 0.15 2
  186 3.8 38
  187 0.9 9
  199 1.1 11
  200 0.01 0
  202 1.6 16
  217 0.5 5
  245 17.1 171
  246 0.27 3
  247 0.2 2
  260 2.8 28
  261 0.8 8
//