ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003349
RECORD_TITLE: DIETHYLENE GLYCOL DIPELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYLENE GLYCOL DIPELARGONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H42O5
CH$EXACT_MASS: 386.30322
CH$SMILES: CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC
CH$IUPAC: InChI=1S/C22H42O5/c1-3-5-7-9-11-13-15-21(23)26-19-17-25-18-20-27-22(24)16-14-12-10-8-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY RTGQGAXEHFZMBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059330
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$SPLASH: splash10-052s-9700000000-ac69dff8115c99a4e1a3
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  45 32.7 327
  53 3.2 32
  54 36.7 367
  55 14.9 149
  56 81.2 812
  57 6.5 65
  58 3.2 32
  59 2.06 21
  60 5.1 51
  67 7.4 74
  68 5.9 59
  69 1.64 16
  70 13.9 139
  71 35 350
  72 2.2 22
  73 1.83 18
  74 3.4 34
  75 2.4 24
  79 2.4 24
  81 0.84 8
  82 2.2 22
  83 7.8 78
  84 20.1 201
  85 0.91 9
  86 35.2 352
  87 22 220
  88 12 120
  89 0.3 3
  95 2.8 28
  96 2.8 28
  97 5.9 59
  98 2.27 23
  99 37.5 375
  100 5.3 53
  101 3 30
  103 0.21 2
  111 2.2 22
  112 7.6 76
  113 22.4 224
  114 0.22 2
  115 4.5 45
  123 2.2 22
  127 7.2 72
  130 0.26 3
  138 6.7 67
  139 2.2 22
  140 6.5 65
  141 4.59 46
  142 9 90
  143 31.4 314
  144 2.8 28
  148 0.22 2
  149 5.5 55
  155 10.1 101
  156 13.2 132
  157 3.4 34
  158 6.3 63
  159 2.8 28
  170 4.5 45
  171 1.09 11
  172 2.4 24
  183 2.4 24
  184 42.1 421
  185 99.99 999
  186 13.9 139
  187 2.1 21
  190 4.5 45
  198 0.22 2
  199 2.2 22
  215 2.4 24
  216 2.1 21
  219 0.21 2
  228 2.2 22
  247 5.7 57
  288 5.1 51
  289 0.13 1
  326 1.3 13
  387 1.5 15
//
