ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001746
RECORD_TITLE: DECANEDIOIC ACID DIHEXYL ESTER; 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$NAME: DECANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₄
CH$EXACT_MASS: 370.30831
CH$SMILES: CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY GQIDSVPVVYHXAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10179251

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$SPLASH: splash10-014u-6940000000-331754460fb46c172616
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  42 7.73 77
  43 39.57 396
  56 23.27 233
  57 7.15 72
  61 8.71 87
  67 1.51 15
  69 10.13 101
  70 2.54 25
  71 1.71 17
  73 4.52 45
  81 3.11 31
  82 4.98 50
  83 8.71 87
  84 37.66 377
  85 15.83 158
  87 2.96 30
  95 1.94 19
  96 3.24 32
  97 12.28 123
  98 30.79 308
  99 1.97 20
  101 6.9 69
  109 1 10
  110 1.94 19
  111 6.04 60
  112 3.75 38
  115 5 50
  121 4.98 50
  123 0.86 9
  124 5 50
  125 24.01 240
  126 4.28 43
  127 4.33 43
  128 1.33 13
  129 9.79 98
  130 2.46 25
  131 0.86 9
  137 1.24 12
  138 13.59 136
  139 14.81 148
  140 1.62 16
  141 0.41 4
  142 1.26 13
  143 33.35 334
  144 5.04 50
  145 0.83 8
  148 2.44 24
  149 3.3 33
  152 2.66 27
  153 0.65 7
  157 9.09 91
  158 3.27 33
  159 1.18 12
  165 0.51 5
  166 18.65 187
  167 5.65 57
  168 0.52 5
  169 0.56 6
  171 5.15 52
  185 99.99 999
  186 11.64 116
  187 0.78 8
  213 2.72 27
  214 2.58 26
  226 1.08 11
  227 24.17 242
  228 3.93 39
  240 3.64 36
  241 4.1 41
  242 5.56 56
  255 4.72 47
  256 0.58 6
  268 1.75 18
  269 82.31 823
  270 15.2 152
  271 1.52 15
  287 3.06 31
//