ACCESSION: JP009091
RECORD_TITLE: HEXANAL TRANS-2-HEXENYL PENTYL 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$NAME: HEXANAL TRANS-2-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCC=CCOC(CCCCC)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-10-13-16-19-17(14-11-8-5-2)18-15-12-9-6-3/h10,13,17H,4-9,11-12,14-16H2,1-3H3/b13-10+
CH$LINK: INCHIKEY LZISIXHTZISKMZ-JLHYYAGUSA-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$SPLASH: splash10-053u-9000000000-365e9efffdd78054569e
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 7.48 75
  29 11.84 118
  31 1.61 16
  39 5.94 59
  41 26.72 267
  42 6.04 60
  43 33.49 335
  44 1.91 19
  53 1.96 20
  54 6.28 63
  55 41.19 412
  56 3.65 37
  57 14.4 144
  67 5.58 56
  69 2.06 21
  70 1.99 20
  71 27.3 273
  72 1.53 15
  82 5.99 60
  83 99.99 999
  84 7.31 73
  99 1.63 16
  100 1.06 11
  101 11.46 115
  113 1.37 14
  117 2.9 29
  127 1.59 16
  139 3.53 35
  171 5.54 55
//