ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003565
RECORD_TITLE: DI-MYRISTYL THIO-DI-PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DI-MYRISTYL THIO-DI-PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₄H₆₆O₄S
CH$EXACT_MASS: 570.46818
CH$SMILES: C(OC(CCSCCC(OCCCCCCCCCCCCCC)=O)=O)CCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C34H66O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-37-33(35)27-31-39-32-28-34(36)38-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
CH$LINK: INCHIKEY LVEOKSIILWWVEO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1066079

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9300000000-4f2448151f3b0da9d1bd
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  27 8.73 87
  28 4.68 47
  29 18.53 185
  41 39.6 396
  42 7.79 78
  43 94.4 944
  54 3.3 33
  55 99.99 999
  56 17.14 171
  57 86.76 868
  58 3.28 33
  60 3.82 38
  61 4.86 49
  67 5.91 59
  68 6.24 62
  69 36.65 367
  70 11.4 114
  71 35.1 351
  73 14.22 142
  74 4.26 43
  75 2.47 25
  81 5.92 59
  82 10.4 104
  83 26.96 270
  84 6.84 68
  85 20.82 208
  87 3.56 36
  88 5.08 51
  89 24.19 242
  95 3.58 36
  96 5.89 59
  97 17.82 178
  98 4.88 49
  99 4.79 48
  105 12.57 126
  106 10.39 104
  107 6.3 63
  109 2.3 23
  110 2.49 25
  111 6.94 69
  112 2.21 22
  113 4.63 46
  114 8.17 82
  115 3.99 40
  117 2.15 22
  119 7.67 77
  125 3.31 33
  127 3.78 38
  132 23 230
  133 6.31 63
  134 3.32 33
  141 2.07 21
  142 9.84 98
  143 43.07 431
  144 3.72 37
  145 2.31 23
  159 4.64 46
  160 5.04 50
  161 30.19 302
  162 2.4 24
  178 40.38 404
  179 9.86 99
  180 2.49 25
  194 3.42 34
  196 2.53 25
  229 3.72 37
  251 2.06 21
  269 3.29 33
  301 3.34 33
  302 2.24 22
  355 2.43 24
  356 2.74 27
  357 12.05 121
  358 2.72 27
  374 18.57 186
  375 4.6 46
  570 8.21 82
  571 3.32 33
//