ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003869
RECORD_TITLE: MEBUTAMATE; 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$NAME: MEBUTAMATE
CH$NAME: 2-SEC-BUTYL-2-METHYL-1,3-PROPANEDIOL DICARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₀N₂O₄
CH$EXACT_MASS: 232.14231
CH$SMILES: CCC(C)C(C)(COC(N)=O)COC(N)=O
CH$IUPAC: InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
CH$LINK: INCHIKEY LEROTMJVBFSIMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023239

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$SPLASH: splash10-0aba-9200000000-e229dbd3b7da4f2a4429
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  26 0.9 9
  27 7.7 77
  28 7.4 74
  29 1.59 16
  30 1.3 13
  31 7.9 79
  32 0.9 9
  39 0.07 1
  40 1.9 19
  41 29.4 294
  42 4.9 49
  43 2.14 21
  44 24.9 249
  45 6.4 64
  46 1.7 17
  47 0.06 1
  51 0.7 7
  52 0.5 5
  53 4.9 49
  54 0.47 5
  55 62.4 624
  56 11.5 115
  57 24.5 245
  58 0.38 4
  59 7 70
  60 0.8 8
  61 0.8 8
  62 4.09 41
  63 0.9 9
  64 0.4 4
  65 1 10
  66 0.09 1
  67 6.1 61
  68 3.4 34
  69 34.4 344
  70 1.25 13
  71 42.1 421
  72 64 640
  73 14.9 149
  74 0.23 2
  75 16.9 169
  76 1.6 16
  77 1 10
  78 0.01 0
  79 1.8 18
  80 0.3 3
  81 8.4 84
  82 0.59 6
  83 8.9 89
  84 12.9 129
  85 5.7 57
  86 0.13 1
  87 0.4 4
  88 1.3 13
  89 1.8 18
  91 0.07 1
  92 1.9 19
  93 0.6 6
  94 0.7 7
  95 1.59 16
  96 2.9 29
  97 99.99 999
  98 17.9 179
  99 0.79 8
  100 2.4 24
  101 1 10
  102 0.9 9
  103 0.01 0
  104 2.5 25
  105 1.3 13
  106 0.1 1
  109 0.14 1
  110 34.9 349
  111 3.9 39
  112 1 10
  113 0.19 2
  114 5.2 52
  115 20.4 204
  116 5 50
  117 0.07 1
  118 0.6 6
  119 0.5 5
  120 0.1 1
  126 0.01 0
  127 0.3 3
  128 15.9 159
  129 1.9 19
  130 0.01 0
  131 0.3 3
  132 3.9 39
  133 0.9 9
  134 0.07 1
  135 1.1 11
  136 0.9 9
  158 30.9 309
  159 0.29 3
  160 0.4 4
  175 4.4 44
  176 0.9 9
//