ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000125
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENENITRILE(CIS); 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$NAME: 3,7-DIMETHYL-2,6-OCTADIENENITRILE(CIS)
CH$NAME: CIS-GERANYL NITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15N
CH$EXACT_MASS: 149.12045
CH$SMILES: N#CC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6H2,1-3H3/b10-7-
CH$LINK: INCHIKEY HLCSDJLATUNSSI-YFHOEESVSA-N
CH$LINK: COMPTOX DTXSID0044816
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9000000000-5845d9c35703331dbb59
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 9 90
  28 1.3 13
  29 3 30
  39 12.2 122
  40 2 20
  41 58.1 581
  42 1.9 19
  43 1.8 18
  51 2.1 21
  52 1.3 13
  53 7.8 78
  55 1.1 11
  65 1.5 15
  66 1.3 13
  67 2.9 29
  68 1.5 15
  69 99.99 999
  70 4.4 44
  77 1.3 13
  79 1.1 11
  80 1.1 11
  81 10 100
  121 1.2 12
  134 9.5 95
  148 2.4 24
  149 3.3 33
//
