ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009107
RECORD_TITLE: ACETALDEHYDE CIS-3-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$NAME: ACETALDEHYDE CIS-3-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCC=CCCOC(C)OCCCCC
CH$IUPAC: InChI=1S/C13H26O2/c1-4-6-8-10-12-15-13(3)14-11-9-7-5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/b8-6-
CH$LINK: INCHIKEY DTNQXBQAPPDECZ-VURMDHGXSA-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$SPLASH: splash10-00r6-9100000000-b496967bc1b431da984f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 14.71 147
  29 20.21 202
  31 5.09 51
  39 13.17 132
  40 1 10
  41 44.75 448
  42 12.23 122
  43 75.34 753
  44 2.89 29
  45 42.5 425
  53 5.56 56
  54 3.14 31
  55 53.35 534
  56 5.49 55
  57 1.63 16
  58 2.18 22
  61 2.96 30
  67 12.94 129
  68 1.76 18
  69 4.8 48
  70 3.6 36
  71 99.99 999
  72 5.58 56
  81 1.26 13
  82 11.01 110
  83 58.14 581
  84 3.36 34
  97 2.95 30
  115 70.76 708
  116 5.52 55
  127 8.58 86
//