ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005638
RECORD_TITLE: 2,2-DIMETHYL-4-PHENYL-1,3-DIOXOLAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2,2-DIMETHYL-4-PHENYL-1,3-DIOXOLAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: c(c2)ccc(c2)C(C1)OC(C)(C)O1
CH$IUPAC: InChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
CH$LINK: INCHIKEY SFDXYHMRHIVYET-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-006x-9400000000-e75d93d20d006ac0aab5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 1.22 12
  29 1.04 10
  41 2.06 21
  42 43.68 437
  43 99.99 999
  44 5.98 60
  58 1.04 10
  59 2.32 23
  72 74.68 747
  73 7.1 71
  77 2.4 24
  78 5.46 55
  79 3.48 35
  89 1 10
  90 10.08 101
  91 19.75 198
  92 4.62 46
  103 6.16 62
  104 4.78 48
  105 4.22 42
  106 1 10
  107 1.88 19
  119 7.92 79
  120 34.6 346
  121 10.96 110
  133 4.24 42
  147 5.04 50
  148 9.98 100
  163 37.68 377
  164 9.3 93
  178 0.41 4
//
