ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009111
RECORD_TITLE: ACETALDEHYDE 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$NAME: ACETALDEHYDE BENZYL CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: CCC=CCCOC(C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-3-4-5-9-12-16-14(2)17-13-15-10-7-6-8-11-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3/b5-4-
CH$LINK: INCHIKEY LDEPYAQXQFOODV-PLNGDYQASA-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$SPLASH: splash10-0006-9000000000-393f9dc18b67137a37b1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 3.05 31
  29 2.36 24
  39 5.29 53
  41 11.39 114
  43 3.56 36
  51 1.57 16
  53 1.31 13
  55 11.55 116
  56 1.23 12
  65 6.34 63
  67 3.87 39
  68 1.05 11
  69 1.62 16
  77 2.66 27
  79 1.4 14
  82 6.25 63
  83 7.91 79
  89 1.18 12
  90 1.3 13
  91 99.99 999
  92 9.8 98
  105 1.05 11
  113 1.54 15
  127 2.59 26
  135 13.91 139
  136 1.23 12
//