ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010434
RECORD_TITLE: DIISOPROPYL 1,3-DITHIOLAN-2-YLIDENEMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: DIISOPROPYL 1,3-DITHIOLAN-2-YLIDENEMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₄S₂
CH$EXACT_MASS: 290.06465
CH$SMILES: CC(C)OC(=O)C(C(=O)OC(C)C)=C(S1)SCC1
CH$IUPAC: InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY UFHLMYOGRXOCSL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8058110

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0j4u-2940000000-f1f31a9094505265794f
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  39 3.63 36
  41 16.57 166
  42 2.39 24
  43 35.06 351
  44 1.51 15
  45 5.31 53
  58 1.62 16
  59 4.59 46
  60 8.32 83
  61 8.64 86
  71 1 10
  72 2.19 22
  74 1.41 14
  76 1.91 19
  84 2.05 21
  85 8.06 81
  86 3.57 36
  87 1.32 13
  88 3.67 37
  89 8.39 84
  90 1.05 11
  93 2.1 21
  102 2.3 23
  103 1.54 15
  105 3.52 35
  116 10.62 106
  117 1.88 19
  118 99.99 999
  119 6.21 62
  120 9.93 99
  128 1.83 18
  129 5.04 50
  133 3.05 31
  134 13.44 134
  136 1.53 15
  144 8.75 88
  145 24.25 243
  146 6.09 61
  147 3.81 38
  159 2.5 25
  160 17.96 180
  161 5.01 50
  162 97.31 973
  163 8.9 89
  164 9.08 91
  172 1.07 11
  173 5.31 53
  176 5.96 60
  178 27.35 274
  179 1.72 17
  180 2.25 23
  187 2.42 24
  189 86.3 863
  190 8 80
  191 8.78 88
  192 1.01 10
  204 62.37 624
  205 8.33 83
  206 13.43 134
  220 1.57 16
  231 49.23 492
  232 6.41 64
  233 4.56 46
  248 1.81 18
  271 1.1 11
  290 75.75 758
  291 11.74 117
  292 9.2 92
  293 1.63 16
//