ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003656
RECORD_TITLE: 2-CHLORO-1,1-BIS(ETHOXYCARBONYLAMINO)-ETHANE; 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$NAME: 2-CHLORO-1,1-BIS(ETHOXYCARBONYLAMINO)-ETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15ClN2O4
CH$EXACT_MASS: 238.07203
CH$SMILES: CCOC(=O)NC(CCl)NC(=O)OCC
CH$IUPAC: InChI=1S/C8H15ClN2O4/c1-3-14-7(12)10-6(5-9)11-8(13)15-4-2/h6H,3-5H2,1-2H3,(H,10,12)(H,11,13)
CH$LINK: INCHIKEY OLRNDYNRSCMVDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30967990
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: splash10-0036-9000000000-7dd755641cd4a1824b98
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  29 99.99 999
  30 17.8 178
  31 93.5 935
  32 0.18 2
  38 2.6 26
  39 4.7 47
  40 10.7 107
  41 0.64 6
  42 28.3 283
  43 53.1 531
  44 38.8 388
  45 4.44 44
  46 15.9 159
  47 1.6 16
  48 8.2 82
  49 0.65 7
  50 3.4 34
  51 2.1 21
  55 3.6 36
  56 0.72 7
  57 11.3 113
  61 2.3 23
  62 8.2 82
  63 0.18 2
  64 3.8 38
  68 2.7 27
  69 1.4 14
  70 0.16 2
  71 1.8 18
  74 2.1 21
  75 2.4 24
  76 0.79 8
  77 16.5 165
  78 3.4 34
  79 5.2 52
  84 0.22 2
  85 29.4 294
  86 4.3 43
  90 10.3 103
  92 0.35 4
  103 5.9 59
  104 2.8 28
  105 2.2 22
  106 0.09 1
  110 0.9 9
  112 1.4 14
  113 10.9 109
  114 0.02 0
  130 0.6 6
  143 0.9 9
  149 7.8 78
  150 0.04 0
  151 2.8 28
  152 0.2 2
  156 1 10
  173 0.03 0
  202 0.3 3
//
