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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009279

ACETALDEHYDE BUTYL ISOPENTYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009279
RECORD_TITLE: ACETALDEHYDE BUTYL ISOPENTYL 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$NAME: ACETALDEHYDE BUTYL ISOPENTYL ACETAL
CH$NAME: ACETALDEHYDE BUTYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H24O2
CH$EXACT_MASS: 188.17763
CH$SMILES: CCCCOC(C)OCCC(C)C
CH$IUPAC: InChI=1S/C11H24O2/c1-5-6-8-12-11(4)13-9-7-10(2)3/h10-11H,5-9H2,1-4H3
CH$LINK: INCHIKEY OOTKYVQGUQRYPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00699731

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$SPLASH: splash10-0kfx-9200000000-42385d3bca2dc26cd803
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 3.2 32
  26 2.5 25
  27 28 280
  29 3.56 36
  30 1.1 11
  31 16.1 161
  39 16.6 166
  41 5.98 60
  42 15 150
  43 92.9 929
  44 10.4 104
  45 6.57 66
  46 1.8 18
  53 2.6 26
  54 1 10
  55 2.71 27
  56 20.7 207
  57 59.3 593
  58 3.6 36
  59 0.11 1
  61 1.3 13
  69 2.1 21
  70 12.4 124
  71 99.99 999
  72 6.4 64
  83 1.9 19
  85 3 30
  99 0.17 2
  100 1.5 15
  101 64 640
  102 3.4 34
  103 0.19 2
  115 38.4 384
  116 2.5 25
  117 1.1 11
  173 1.47 15
  174 1.6 16
//

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