ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009503
RECORD_TITLE: ZIRAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: ZIRAM
CH$NAME: ZINC DIMETHYLDITHIOCARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂N₂S₄Zn
CH$EXACT_MASS: 303.91748
CH$SMILES: CN(C)C(=S)S[Zn]SC(=S)N(C)C
CH$IUPAC: InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
CH$LINK: INCHIKEY DUBNHZYBDBBJHD-UHFFFAOYSA-L
CH$LINK: COMPTOX DTXSID0021464

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0pbi-7219000000-1e53d9c95de1c08396cc
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  14 1.06 11
  15 8 80
  18 1.19 12
  27 1.09 11
  28 3.57 36
  32 1.68 17
  40 1.49 15
  41 2.64 26
  42 17.43 174
  43 3.02 30
  44 11.61 116
  45 4.09 41
  47 2.18 22
  56 3.3 33
  61 1.04 10
  64 2.79 28
  72 8.72 87
  73 12.9 129
  74 1.59 16
  76 5.19 52
  77 4.92 49
  87 3.03 30
  88 94.81 948
  89 6.69 67
  90 4.19 42
  96 1.53 15
  120 20.67 207
  121 5.59 56
  122 2.14 21
  140 1.16 12
  152 1.81 18
  172 1.19 12
  184 13.16 132
  185 2.48 25
  186 8.6 86
  187 2.67 27
  188 5.77 58
  189 1.11 11
  208 1.48 15
  216 9.12 91
  218 6.35 64
  219 1.2 12
  220 3.91 39
  227 5.38 54
  228 1.89 19
  229 3.37 34
  230 1.71 17
  231 2.36 24
  257 1.4 14
  258 1.03 10
  260 1.1 11
  289 3.33 33
  291 2.75 28
  293 1.87 19
  304 99.99 999
  305 10.69 107
  306 74 740
  307 15.65 157
  308 47.85 479
  309 6.8 68
  310 8.75 88
  311 1.05 11
//