ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003348
RECORD_TITLE: PROPYLENE GLYCOL DILAURATE; 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$NAME: PROPYLENE GLYCOL DILAURATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₂O₄
CH$EXACT_MASS: 440.38656
CH$SMILES: CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC
CH$IUPAC: InChI=1S/C27H52O4/c1-4-6-8-10-12-14-16-18-20-22-26(28)30-24-25(3)31-27(29)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3
CH$LINK: INCHIKEY WITKSCOBOCOGSC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20945469

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$SPLASH: splash10-00dr-9210000000-7bc49b19bd96748bf95b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  45 5.9 59
  53 2.5 25
  54 29.9 299
  55 19 190
  56 22.2 222
  57 2 20
  58 9.2 92
  59 0.3 3
  60 2.4 24
  67 4.2 42
  68 2 20
  69 1.48 15
  70 3.4 34
  71 7.2 72
  73 3.6 36
  74 99.99 999
  75 25.2 252
  81 3.1 31
  83 9.4 94
  84 0.5 5
  85 4.4 44
  87 81.5 815
  88 8.1 81
  95 0.24 2
  97 5.8 58
  98 5.5 55
  101 9.4 94
  111 0.22 2
  115 7.1 71
  116 3.9 39
  129 11.1 111
  140 0.29 3
  143 20.7 207
  157 5.4 54
  171 15.8 158
  172 0.22 2
  183 18.1 181
  184 2.4 24
  185 6.2 62
  200 0.18 2
  201 18.3 183
  213 1.1 11
  214 49.4 494
  215 1.18 12
  216 1.2 12
  256 3.1 31
  257 1 10
  325 0.09 1
  326 1.2 12
//