ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008452
RECORD_TITLE: ALPINAL DIMETHYL ACETAL; 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$NAME: ALPINAL DIMETHYL ACETAL
CH$NAME: 3,5,5-TRIMETHYLHEXANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄O₂
CH$EXACT_MASS: 188.17763
CH$SMILES: COC(OC)CC(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3
CH$LINK: INCHIKEY OKMANJUJOSTZGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70888231

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$SPLASH: splash10-004i-9000000000-c7dbe3c3990130826351
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 3.55 36
  27 5.22 52
  29 9.55 96
  31 5.83 58
  39 6.15 62
  41 17.66 177
  42 1.19 12
  43 6.5 65
  45 4.31 43
  47 6.99 70
  53 3 30
  55 10.05 101
  56 2.84 28
  57 25.22 252
  58 10.79 108
  59 3.07 31
  67 1.93 19
  68 1.03 10
  69 4.9 49
  71 2.77 28
  72 1.03 10
  75 99.99 999
  76 3.54 35
  81 1.11 11
  83 14.14 141
  84 1.05 11
  85 36.9 369
  86 1.87 19
  99 2.79 28
  101 1.47 15
  109 2.82 28
  156 1.23 12
  157 4.97 50
//