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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007629

(Z)-3,7-DIMETHYL-2,6-OCTADIENENITRILE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007629
RECORD_TITLE: (Z)-3,7-DIMETHYL-2,6-OCTADIENENITRILE; 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$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENENITRILE
CH$NAME: CIS-GERANYL NITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15N
CH$EXACT_MASS: 149.12045
CH$SMILES: N#CC([H])=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: CAS 31983-27-4
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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-9200000000-a466ace8fa591a96d79e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41 9.9 99
  69 99.99 999
  70 4.3 43
  81 0.81 8
  108 1 10
  121 2.4 24
  134 20.6 206
  135 0.15 2
  148 4.9 49
  149 6.7 67
//

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