MassBank Record: JP008456

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ALPINAL DIETHYL ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008456
RECORD_TITLE: ALPINAL DIETHYL 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$NAME: ALPINAL DIETHYL ACETAL
CH$NAME: 3,5,5-TRIMETHYLHEXANAL DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O2
CH$EXACT_MASS: 216.208930000000009385985322296619415283203125
CH$SMILES: CCOC(OCC)CC(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C13H28O2/c1-7-14-12(15-8-2)9-11(3)10-13(4,5)6/h11-12H,7-10H2,1-6H3
CH$LINK: COMPTOX DTXSID40868949
CH$LINK: INCHIKEY SXOLJHFGARCGQT-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$SPLASH: splash10-0fft-9100000000-2875a5beb7a9d298fd72
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 3 30
  19 1.34 13
  26 2.57 26
  27 28.89 289
  29 50.86 509
  30 1.8 18
  31 25.56 256
  39 13.66 137
  41 47.5 475
  42 3.61 36
  43 25.53 255
  44 8.19 82
  45 14.74 147
  46 3.01 30
  47 38.71 387
  51 1.14 11
  53 8 80
  55 15.01 150
  56 8.68 87
  57 62.78 628
  58 2.34 23
  59 3.11 31
  67 3.19 32
  68 3.76 38
  69 10.77 108
  70 2.85 29
  71 85.47 855
  72 13 130
  73 2.98 30
  75 27.93 279
  83 20.51 205
  84 1.37 14
  85 4.39 44
  99 99.99 999
  100 6.71 67
  103 82.29 823
  104 3.67 37
  109 4.35 44
  113 3.65 37
  155 1.47 15
  170 4.49 45
  171 9.69 97
//