ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009104
RECORD_TITLE: HEXANAL BENZYL CIS-3-HEXENYL 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$NAME: HEXANAL BENZYL CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: CCC=CCCOC(CCCCC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H30O2/c1-3-5-7-12-16-20-19(15-9-6-4-2)21-17-18-13-10-8-11-14-18/h5,7-8,10-11,13-14,19H,3-4,6,9,12,15-17H2,1-2H3/b7-5-
CH$LINK: INCHIKEY XKXIILVFTMECBU-ALCCZGGFSA-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$SPLASH: splash10-0006-9000000000-6e37e3f0d68a0f8997c2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 2.25 23
  29 1.96 20
  39 2.77 28
  41 11.68 117
  42 1.09 11
  43 2.57 26
  51 1.05 11
  53 1.34 13
  55 13.56 136
  56 1.43 14
  57 1.26 13
  65 3.43 34
  67 3.17 32
  69 1.52 15
  77 1.63 16
  79 1.83 18
  81 1.01 10
  82 4.39 44
  83 9.09 91
  91 99.99 999
  92 8.79 88
  99 2.14 21
  107 1.42 14
  108 1.19 12
  113 2.79 28
  173 1.52 15
  191 4.98 50
//