ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001745
RECORD_TITLE: TRIDECANEDIOIC 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$NAME: TRIDECANEDIOIC ACID DIHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₈O₄
CH$EXACT_MASS: 412.35526
CH$SMILES: CCCCCCOC(=O)CCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C25H48O4/c1-3-5-7-18-22-28-24(26)20-16-14-12-10-9-11-13-15-17-21-25(27)29-23-19-8-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY JHXYDMXNJPPANJ-UHFFFAOYSA-N

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$SPLASH: splash10-05fr-4931000000-fefef14efbb47feee0c0
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  42 2.01 20
  43 17.6 176
  56 11.93 119
  57 12.8 128
  61 5.44 54
  68 2.46 25
  69 8.03 80
  70 7.04 70
  71 8.29 83
  73 3.63 36
  82 5.01 50
  83 13.16 132
  84 19.41 194
  85 12.17 122
  87 2.58 26
  96 2.74 27
  97 9.59 96
  98 16.92 169
  99 2.22 22
  101 4.73 47
  110 2.76 28
  111 16.3 163
  112 6.48 65
  113 0.82 8
  114 0.8 8
  115 4.28 43
  116 2.13 21
  117 0.96 10
  124 4.86 49
  125 11.96 120
  126 3.12 31
  127 1.11 11
  128 0.63 6
  129 32.95 330
  130 2.46 25
  135 0.92 9
  138 0.95 10
  139 3.04 30
  140 4.31 43
  141 1.31 13
  142 1.46 15
  143 7.01 70
  144 4.26 43
  145 2.44 24
  151 1.07 11
  152 34.22 342
  153 9.16 92
  154 1.54 15
  155 1.18 12
  157 4.37 44
  169 0.34 3
  170 2.14 21
  171 99.99 999
  172 10.54 105
  173 1.13 11
  180 0.34 3
  185 3.22 32
  199 11.43 114
  200 2.65 27
  208 0.32 3
  212 0.47 5
  213 11.79 118
  214 1.37 14
  226 1.58 16
  227 5.8 58
  228 3.05 31
  241 3.43 34
  254 2.29 23
  255 57.05 571
  256 10.86 109
  257 1.19 12
  269 9.11 91
  270 1.72 17
  273 3.48 35
  282 1.18 12
  283 11.45 115
  284 3.68 37
  301 0.36 4
  310 1.38 14
  311 31.33 313
  312 6.86 69
  313 0.81 8
  329 0.98 10
//