ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008278
RECORD_TITLE: METHYL N-PHENYLDITHIOCARBAMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL N-PHENYLDITHIOCARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NS₂
CH$EXACT_MASS: 183.01764
CH$SMILES: CSC(=S)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C8H9NS2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
CH$LINK: CAS 701-73-5
CH$LINK: INCHIKEY MOOSRNWDPWTOBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80220380

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0f9i-9500000000-3f668cb8a340a34523bd
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 3.06 31
  37 4.1 41
  38 6.6 66
  39 13.55 136
  45 19.02 190
  46 5.41 54
  47 29.7 297
  48 24.19 242
  49 2.73 27
  50 24.05 241
  51 53.67 537
  52 4.64 46
  59 1.98 20
  61 0.98 10
  62 1.86 19
  63 6.55 66
  64 6.22 62
  65 7.88 79
  68 3.71 37
  70 1.47 15
  74 6.43 64
  75 4.95 50
  76 6.79 68
  77 99.99 999
  78 8.42 84
  90 0.78 8
  91 23.21 232
  92 1.99 20
  93 1.47 15
  103 1.15 12
  108 3.66 37
  109 14.92 149
  110 3.83 38
  135 99.59 996
  136 48.17 482
  137 8.11 81
  138 1.51 15
  150 2.74 27
  182 0.88 9
  183 25.36 254
  184 3.65 37
  185 2.44 24
//