ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000124
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENENITRILE(TRANS); 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$NAME: 3,7-DIMETHYL-2,6-OCTADIENENITRILE(TRANS)
CH$NAME: TRANS-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-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID90884174

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$SPLASH: splash10-014l-9000000000-19306821ad429e41cd1c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 7.9 79
  28 1.1 11
  29 2.8 28
  39 10.3 103
  40 1.7 17
  41 55.9 559
  42 1.7 17
  43 2 20
  51 1.8 18
  53 6.8 68
  55 1.1 11
  65 1.2 12
  67 2.6 26
  68 1.8 18
  69 99.99 999
  70 4.2 42
  78 1 10
  81 5.1 51
  93 1 10
  134 5.1 51
  149 2.2 22
//