ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003317
RECORD_TITLE: DICYCLOHEXYL PHTHALATE; 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$NAME: DICYCLOHEXYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O₄
CH$EXACT_MASS: 330.18311
CH$SMILES: C(C3)CCC(C3)OC(=O)c(c2)c(ccc2)C(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
CH$LINK: INCHIKEY VOWAEIGWURALJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025021

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$SPLASH: splash10-0002-3910000000-b8156f54b2afd210375a
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  50 1 10
  53 1.2 12
  54 19.7 197
  55 1.5 15
  56 1.8 18
  65 2.2 22
  67 6.2 62
  76 0.2 2
  77 1.3 13
  79 1 10
  81 2.5 25
  82 0.51 5
  83 11.1 111
  84 0.8 8
  93 1.8 18
  99 0.24 2
  105 1.6 16
  121 1.8 18
  122 2.3 23
  123 0.08 1
  149 99.99 999
  150 18.9 189
  151 1.8 18
  167 5.89 59
  168 5.1 51
  169 0.8 8
  225 1 10
  231 0.18 2
  232 1.2 12
  249 13.9 139
  250 2.3 23
  331 0.7 7
//