ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007544
RECORD_TITLE: GERANIAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: GERANIAL
CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC=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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-014i-9100000000-dcdfd8342f2d4ce5a439
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  55 4.62 46
  59 8.03 80
  69 99.99 999
  70 10.1 101
  83 9.03 90
  84 44.59 446
  94 19.76 198
  95 5.67 57
  109 12.84 128
  119 2.87 29
  123 10.95 110
  137 7.88 79
  152 6 60
//