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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008667

ACETALDEHYDE BENZYL ISOAMYL ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008667
RECORD_TITLE: ACETALDEHYDE BENZYL ISOAMYL 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$NAME: ACETALDEHYDE BENZYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22O2
CH$EXACT_MASS: 222.16198
CH$SMILES: CC(C)CCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H22O2/c1-12(2)9-10-15-13(3)16-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
CH$LINK: INCHIKEY UROVAOQFAZWTNI-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$SPLASH: splash10-0006-9100000000-7ccd91e6ad7a48d02362
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 1.58 16
  27 7.77 78
  29 6.24 62
  31 2.51 25
  39 7.36 74
  41 13.33 133
  42 4.48 45
  43 44.07 441
  44 3.58 36
  45 3.2 32
  50 2.25 23
  51 4.94 49
  52 1.18 12
  53 1.33 13
  55 8.43 84
  57 1.86 19
  63 1.84 18
  65 7.35 74
  69 1.29 13
  70 7.04 70
  71 29.19 292
  72 1.53 15
  77 7.98 80
  78 2.15 22
  79 8.05 81
  89 2.13 21
  90 2.41 24
  91 99.99 999
  92 18.99 190
  93 1.04 10
  105 4 40
  106 2.34 23
  107 5.63 56
  108 6.85 69
  115 2.38 24
  133 1.99 20
  134 18.4 184
  135 5.02 50
//

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