MassBank MassBank Search Contents Download

MassBank Record: JP008638

VALERALDEHYDE DIETHYL ACETAL; EI-B; MS

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

ACCESSION: JP008638
RECORD_TITLE: VALERALDEHYDE 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$NAME: VALERALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20O2
CH$EXACT_MASS: 160.14633
CH$SMILES: CCCCC(OCC)OCC
CH$IUPAC: InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
CH$LINK: INCHIKEY XCWKYQWOLSOBCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4063117

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$SPLASH: splash10-0gdj-9300000000-7ff997e019a72bfc9e85
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.95 20
  19 1.68 17
  26 2.1 21
  27 27.43 274
  29 48.84 488
  30 1.87 19
  31 14.13 141
  39 7.85 79
  41 27.47 275
  42 2.68 27
  43 11.32 113
  44 10.02 100
  45 13.83 138
  46 1.24 12
  47 74.27 743
  53 1.08 11
  55 3.29 33
  57 38.22 382
  58 6.37 64
  59 5.36 54
  60 1 10
  67 1.13 11
  69 67.6 676
  70 3.4 34
  71 1.25 13
  72 2.41 24
  75 50.36 504
  76 1.29 13
  85 16.62 166
  86 1.31 13
  87 11.38 114
  88 1.85 19
  103 99.99 999
  104 5.55 56
  114 3.65 37
  115 61.83 618
  116 3.92 39
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze