ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009087
RECORD_TITLE: HEXANAL ETHYL 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$NAME: HEXANAL ETHYL CIS-3-HEXENYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCC=CCCOC(OCC)CCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-4-7-9-11-13-16-14(15-6-3)12-10-8-5-2/h7,9,14H,4-6,8,10-13H2,1-3H3/b9-7-
CH$LINK: INCHIKEY PNXNUQGJDZBEHV-CLFYSBASSA-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$SPLASH: splash10-057i-9200000000-2970be37c01a7476c32b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 11.74 117
  29 19.66 197
  31 3.61 36
  39 9.15 92
  41 34.48 345
  42 3.59 36
  43 9.94 99
  44 2.85 29
  45 2.34 23
  47 3.22 32
  53 3.47 35
  54 2.18 22
  55 73.24 732
  56 5.14 51
  57 9.37 94
  58 1.18 12
  59 3.85 39
  67 11.45 115
  68 1.07 11
  69 1.85 19
  71 1.45 15
  72 1.3 13
  75 9.86 99
  81 1.62 16
  82 7.68 77
  83 99.99 999
  84 7.29 73
  85 3.31 33
  101 2.1 21
  129 76.28 763
  130 7.04 70
  145 1.22 12
  157 1.2 12
  183 1.14 11
//