ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010260
RECORD_TITLE: N-((2,3-DIMETHOXYCARBONYL)PROPYL)BIS(METHYLTHIO)IMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-((2,3-DIMETHOXYCARBONYL)PROPYL)BIS(METHYLTHIO)IMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO₄S₂
CH$EXACT_MASS: 279.05990
CH$SMILES: COC(=O)CC(CN=C(SC)SC)C(=O)OC
CH$IUPAC: InChI=1S/C10H17NO4S2/c1-14-8(12)5-7(9(13)15-2)6-11-10(16-3)17-4/h7H,5-6H2,1-4H3
CH$LINK: INCHIKEY HHMRUUQKFGMVBD-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6s-9730000000-47b76583f79f643539b9
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  39 12.33 123
  41 29.96 300
  42 6.45 65
  43 6.47 65
  44 5.01 50
  45 23.31 233
  46 10.43 104
  47 21.76 218
  48 11.48 115
  55 6.21 62
  59 38.42 384
  61 19.83 198
  67 4.9 49
  69 12.16 122
  71 6.37 64
  72 16.28 163
  73 6.48 65
  74 25.22 252
  75 4.84 48
  87 10.85 109
  91 8.3 83
  98 9.39 94
  99 27.04 270
  100 10.22 102
  114 6.33 63
  127 65.3 653
  128 3.69 37
  134 4.07 41
  140 3.17 32
  154 3.55 36
  156 4.02 40
  157 4.17 42
  159 99.99 999
  160 11.69 117
  161 2.93 29
  171 8.88 89
  172 9.55 96
  175 11.08 111
  186 3.04 30
  190 2.9 29
  199 3.02 30
  200 5.64 56
  206 3.07 31
  231 8.1 81
  232 28.71 287
  233 3.65 37
  234 3.82 38
  248 16.62 166
  279 37.26 373
  280 4.09 41
  281 7.09 71
//