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
//