ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002779
RECORD_TITLE: N-(ACETYLAMINO)CARBONYL-2-BROMO-2-ETHYL-BUTANAMIDE; 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$NAME: N-(ACETYLAMINO)CARBONYL-2-BROMO-2-ETHYL-BUTANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅BrN₂O₃
CH$EXACT_MASS: 278.02660
CH$SMILES: CC(=O)NC(=O)NC(=O)C(Br)(CC)CC
CH$IUPAC: InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)
CH$LINK: INCHIKEY SAZUGELZHZOXHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9058810

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$SPLASH: splash10-0006-9000000000-3cd1b8f32b8c0d6b78bc
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  37 3 30
  38 14.8 148
  39 41 410
  40 2.41 24
  41 99.99 999
  42 22.5 225
  43 92.5 925
  44 4.41 44
  45 2.2 22
  46 1.3 13
  47 0.1 1
  48 0.03 0
  49 1.5 15
  50 4 40
  51 6 60
  52 0.61 6
  53 28.1 281
  54 16 160
  55 38.7 387
  56 0.69 7
  57 4.8 48
  58 0.9 9
  59 22.9 229
  60 0.31 3
  61 1.3 13
  62 1.5 15
  63 2.2 22
  64 0.16 2
  65 2.9 29
  66 3.1 31
  67 21.3 213
  68 1.37 14
  69 46.9 469
  70 25.7 257
  71 13.1 131
  72 0.69 7
  73 1 10
  74 0.3 3
  75 0.3 3
  77 0.09 1
  78 1.3 13
  79 4.9 49
  80 10.4 104
  81 0.53 5
  82 10.9 109
  83 6.9 69
  84 2.6 26
  85 0.45 5
  86 4.9 49
  87 6.6 66
  88 0.9 9
  91 0.11 1
  92 0.7 7
  93 0.7 7
  94 1.1 11
  95 0.06 1
  96 14.5 145
  97 11.6 116
  98 19.1 191
  99 0.36 4
  100 1 10
  101 0.1 1
  102 0.5 5
  103 0.26 3
  104 0.3 3
  105 0.3 3
  107 0.8 8
  109 0.08 1
  110 1 10
  111 2.9 29
  112 3.8 38
  113 1.27 13
  114 3.8 38
  115 1.1 11
  124 1.9 19
  125 0.01 0
  126 0.3 3
  127 2.1 21
  128 1.2 12
  129 0.52 5
  130 1 10
  131 0.1 1
  133 0.3 3
  135 0.04 0
  139 3.7 37
  140 3.1 31
  141 1 10
  142 0.01 0
  144 0.1 1
  149 0.3 3
  150 2.4 24
  151 0.16 2
  152 2.2 22
  153 1 10
  155 0.9 9
  156 0.01 0
  157 0.5 5
  165 2.5 25
  167 2.9 29
  168 0.01 0
  169 0.5 5
  170 0.6 6
  171 0.1 1
  172 0.12 1
  176 0.2 2
  177 0.1 1
  178 0.4 4
  179 0.01 0
  183 1.2 12
  185 0.3 3
  191 1.3 13
  193 0.11 1
  208 0.3 3
  210 0.7 7
  218 0.1 1
  219 0.03 0
  248 0.9 9
  249 0.1 1
  250 0.9 9
//