ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005516
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$NAME: GERANIAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
CH$LINK: CAS 141-27-5
CH$LINK: INCHIKEY WTEVQBCEXWBHNA-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID20881217

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9100000000-131249cb1d7fb343fe10
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  28 2.9 29
  41 44.5 445
  43 1.8 18
  55 0.19 2
  56 1.9 19
  59 4.4 44
  67 3.3 33
  68 0.14 1
  69 99.99 999
  70 5.1 51
  80 1.2 12
  81 0.5 5
  82 4.2 42
  83 5.6 56
  84 30 300
  94 1.75 18
  95 4.1 41
  108 1.1 11
  109 8.4 84
  110 0.15 2
  119 2 20
  123 5.5 55
  134 1.3 13
  137 0.5 5
  152 7.9 79
//