MassBank Record: JP008452

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ALPINAL DIMETHYL ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: 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$EXACT_MASS: 188.177629999999993515302776359021663665771484375
CH$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: COMPTOX DTXSID70888231
CH$LINK: INCHIKEY OKMANJUJOSTZGX-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$SPLASH: splash10-004i-9000000000-c7dbe3c3990130826351
PK$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
//