ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003098
RECORD_TITLE: ALLOBARBITAL REG# - -; 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$NAME: ALLOBARBITAL REG# - -
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₂O₃
CH$EXACT_MASS: 208.08479
CH$SMILES: C=CCC(CC=C)(C(=O)1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY FDQGNLOWMMVRQL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022572

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$SPLASH: splash10-014l-9500000000-830bf2be43ff02dbb120
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  26 6 60
  27 28.5 285
  28 45 450
  29 0.41 4
  30 1.7 17
  31 0.5 5
  32 48 480
  36 0.29 3
  37 2.3 23
  38 4.8 48
  39 45.4 454
  40 0.98 10
  41 89.6 896
  42 8.9 89
  43 18 180
  44 1.57 16
  45 1.2 12
  46 0.2 2
  49 1 10
  50 0.57 6
  51 12 120
  52 15 150
  53 34 340
  54 0.08 1
  55 5.7 57
  56 4 40
  57 2 20
  61 0.01 0
  62 1.5 15
  63 3.4 34
  64 1.9 19
  65 0.88 9
  66 7.6 76
  67 13.8 138
  68 27.1 271
  69 0.42 4
  70 8.6 86
  71 1 10
  75 1 10
  76 0.01 0
  77 12.1 121
  78 9.6 96
  79 15.7 157
  80 5.85 59
  81 13.4 134
  82 3.9 39
  83 3 30
  84 0.07 1
  85 1 10
  89 1 10
  90 0.6 6
  91 0.88 9
  92 4.5 45
  93 5.2 52
  94 4.8 48
  95 0.52 5
  96 14.1 141
  97 8.1 81
  98 9.3 93
  99 0.19 2
  100 0.3 3
  103 1 10
  104 1.7 17
  105 0.16 2
  106 19 190
  107 4.7 47
  108 3 30
  109 0.03 0
  110 1.4 14
  111 1 10
  112 0.4 4
  117 0.07 1
  118 1.3 13
  119 1.4 14
  120 3.8 38
  121 0.03 0
  122 7.4 74
  123 5.6 56
  124 68.5 685
  125 0.06 1
  126 1.3 13
  129 1.2 12
  134 0.3 3
  135 0.04 0
  136 4.2 42
  137 3 30
  138 2 20
  139 0.12 1
  140 0.6 6
  141 21.5 215
  142 3 30
  143 0.06 1
  147 1 10
  148 2 20
  149 2 20
  150 0.48 5
  151 5 50
  152 4 40
  153 4.1 41
  154 0.06 1
  155 1 10
  163 1 10
  164 1.4 14
  165 0.2 2
  166 41 410
  167 99.99 999
  168 11.5 115
  169 0.18 2
  179 14 140
  180 8 80
  181 2 20
  182 0.01 0
  190 8 80
  191 1 10
  192 3 30
  193 0.15 2
  194 2 20
  207 1 10
  208 13.2 132
  209 0.23 2
  210 0.6 6
//