MassBank MassBank Search Contents Download

MassBank Record: JP008460

VALERALDEHYDE DIHEXYL ACETAL; EI-B; MS

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

ACCESSION: JP008460
RECORD_TITLE: VALERALDEHYDE DIHEXYL 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$NAME: VALERALDEHYDE DIHEXYL ACETAL
CH$NAME: PENTANAL DIHEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H36O2
CH$EXACT_MASS: 272.27153
CH$SMILES: CCCCCCOC(CCCC)OCCCCCC
CH$IUPAC: InChI=1S/C17H36O2/c1-4-7-10-12-15-18-17(14-9-6-3)19-16-13-11-8-5-2/h17H,4-16H2,1-3H3
CH$LINK: INCHIKEY JQWXFZZZKPDRKK-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$SPLASH: splash10-052o-9000000000-1fe8af2abd8ec0c24c17
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 1.18 12
  27 17.47 175
  29 23.17 232
  31 8.97 90
  39 11.51 115
  41 43.82 438
  42 16.84 168
  43 99.99 999
  44 8.57 86
  45 2.21 22
  53 2.3 23
  54 1.41 14
  55 25.59 256
  56 31.21 312
  57 73.09 731
  58 4.64 46
  67 1.83 18
  68 4.05 41
  69 20.43 204
  70 1.64 16
  71 3.73 37
  83 1.42 14
  84 3.72 37
  85 55.58 556
  86 22.87 229
  87 19.53 195
  88 1.1 11
  113 1.97 20
  131 4.29 43
  141 2.53 25
  170 10.45 105
  171 19.75 198
  172 2.07 21
  215 6.62 66
//

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