ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003354
RECORD_TITLE: TRIETHYLENE 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$NAME: TRIETHYLENE GLYCOL DIPELARGONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₆O₆
CH$EXACT_MASS: 430.32944
CH$SMILES: CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC
CH$IUPAC: InChI=1S/C24H46O6/c1-3-5-7-9-11-13-15-23(25)29-21-19-27-17-18-28-20-22-30-24(26)16-14-12-10-8-6-4-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY UBQXQCCAPASFJR-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$SPLASH: splash10-052r-9700000000-56fa1429a4a57e5a9dc5
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  53 3.8 38
  54 33.9 339
  55 11.1 111
  56 69.2 692
  57 16.1 161
  58 4.6 46
  59 17 170
  60 0.49 5
  67 6.7 67
  68 5.5 55
  69 15.8 158
  70 1.67 17
  71 47.5 475
  72 9.6 96
  73 21.1 211
  74 0.32 3
  75 3.5 35
  81 8.2 82
  83 7 70
  84 1.46 15
  85 13.4 134
  86 32.5 325
  87 31.9 319
  88 1.11 11
  89 20.2 202
  95 3.8 38
  96 4.3 43
  97 0.46 5
  98 15.2 152
  99 55.7 557
  100 6.7 67
  101 0.79 8
  102 3.5 35
  110 3.8 38
  111 3.2 32
  112 0.49 5
  113 33.7 337
  114 6.4 64
  115 8.2 82
  127 1.08 11
  129 15.5 155
  135 7.3 73
  138 16.4 164
  141 5.83 58
  142 10.2 102
  143 43.9 439
  144 4.9 49
  155 0.96 10
  156 7.3 73
  157 43.1 431
  158 5.2 52
  171 1.31 13
  184 12.6 126
  185 99.99 999
  186 13.7 137
  187 0.38 4
  193 2 20
  199 2.6 26
  201 2.6 26
  202 0.2 2
  214 2.3 23
  215 2.9 29
  216 2.6 26
  229 3.2 32
//