ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009058
RECORD_TITLE: 2-(1-PHENYLETHYL)-6-ISOPROPYL-1,3-DIOXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(1-PHENYLETHYL)-6-ISOPROPYL-1,3-DIOXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CC(C)C(C2)OC(OC2)C(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-11(2)14-9-10-16-15(17-14)12(3)13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
CH$LINK: INCHIKEY YWNRQAFPFQOIDO-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9300000000-3829cc06a3846c69f107
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.95 30
  29 2.38 24
  39 3.49 35
  41 8.67 87
  42 1.84 18
  43 18.08 181
  45 8.54 85
  51 1.95 20
  53 1.08 11
  55 12.94 129
  56 2.5 25
  57 3.61 36
  59 2.76 28
  65 1.32 13
  77 7.52 75
  78 1.95 20
  79 4.37 44
  83 99.99 999
  84 7.01 70
  85 1.45 15
  91 3.02 30
  103 3.13 31
  104 1.69 17
  105 26.94 269
  106 3.05 31
  129 29.62 296
  130 2.33 23
//
