ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010526
RECORD_TITLE: ALDRITHIOL-2; 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$NAME: ALDRITHIOL-2
CH$NAME: 2,2'-DIPYRIDYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈N₂S₂
CH$EXACT_MASS: 220.01289
CH$SMILES: c(c2)cnc(c2)SSc(c1)nccc1
CH$IUPAC: InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
CH$LINK: CAS 2127-03-9
CH$LINK: INCHIKEY HAXFWIACAGNFHA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70175517

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$SPLASH: splash10-00di-4490000000-14ea70bc59e09439fdb0
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 1.69 17
  28 1.1 11
  38 1.39 14
  39 13.01 130
  45 1.65 17
  50 2.45 25
  51 11.87 119
  52 4.23 42
  57 2.97 30
  67 1.89 19
  69 1.75 18
  78 26.07 261
  79 2.5 25
  81 1.01 10
  82 2.74 27
  83 6.96 70
  84 2.13 21
  110 5.17 52
  111 2.2 22
  128 1.19 12
  129 3.71 37
  130 4.05 41
  142 3.12 31
  155 9.6 96
  156 28.6 286
  157 3.56 36
  160 1.94 19
  161 1.81 18
  187 15.28 153
  188 7.03 70
  189 2.15 22
  220 99.99 999
  221 64.75 648
  222 16.42 164
  223 6.13 61
//