ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003375
RECORD_TITLE: DI(2-ETHYLHEXYL)AZELATE; 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$NAME: DI(2-ETHYLHEXYL)AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₈O₄
CH$EXACT_MASS: 412.35526
CH$SMILES: CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C25H48O4/c1-5-9-16-22(7-3)20-28-24(26)18-14-12-11-13-15-19-25(27)29-21-23(8-4)17-10-6-2/h22-23H,5-21H2,1-4H3
CH$LINK: INCHIKEY ZDWGXBPVPXVXMQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026697

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$SPLASH: splash10-00di-9600000000-354076fc9e808f6a7714
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  43 55.4 554
  53 2.3 23
  54 41.8 418
  55 17.2 172
  56 76.3 763
  57 3.3 33
  67 4.3 43
  68 0.38 4
  69 17.3 173
  70 66.4 664
  71 47.8 478
  72 0.26 3
  81 3.4 34
  82 5.8 58
  83 24.6 246
  84 1.33 13
  87 2.8 28
  97 7.9 79
  98 8.9 89
  101 0.3 3
  111 5 50
  112 75.1 751
  113 26.3 263
  114 0.23 2
  115 5.7 57
  125 8.3 83
  129 14.1 141
  143 0.71 7
  144 5 50
  147 2.2 22
  152 10.7 107
  153 0.27 3
  157 10.7 107
  170 6.4 64
  171 99.99 999
  172 1.08 11
  185 2.1 21
  189 11.8 118
  199 3.6 36
  241 0.52 5
  255 2.8 28
  256 3.7 37
  269 2.9 29
  282 0.26 3
  283 25.6 256
  284 4.6 46
  301 18.5 185
  302 0.36 4
  412 3.8 38
  413 8.8 88
  414 2.4 24
//