ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009090
RECORD_TITLE: HEXANAL 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$NAME: HEXANAL CIS-3-HEXENYL PENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: CCC=CCCOC(CCCCC)OCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-4-7-10-13-16-19-17(14-11-8-5-2)18-15-12-9-6-3/h7,10,17H,4-6,8-9,11-16H2,1-3H3/b10-7-
CH$LINK: INCHIKEY ZCGOMMOYYRGVQY-YFHOEESVSA-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$SPLASH: splash10-053u-9100000000-943389872f2f1e7374e7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 8.3 83
  29 17.56 176
  31 3.25 33
  39 8.08 81
  41 36.38 364
  42 9.3 93
  43 48.63 486
  44 1.95 20
  45 1.17 12
  53 2.81 28
  54 2.28 23
  55 61.39 614
  56 4.67 47
  57 11.93 119
  67 11.1 111
  68 1.16 12
  69 2.63 26
  70 2.46 25
  71 25.07 251
  72 1.66 17
  81 1.48 15
  82 11.74 117
  83 99.99 999
  84 6.16 62
  99 1.29 13
  101 26.58 266
  102 1.42 14
  113 1.34 13
  117 5.54 55
  125 1.45 15
  171 26.21 262
  172 2.77 28
  183 1.86 19
//