MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005518

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005518
RECORD_TITLE: (E)-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

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CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENENITRILE
CH$NAME: TRANS-GERANYLNITRILE
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: INCHIKEY HLCSDJLATUNSSI-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID90884174

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-9000000000-371168dfbe56b987ffad
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41 29.4 294
  68 1.2 12
  69 99.99 999
  70 0.38 4
  81 4.3 43
  134 5.7 57
  148 1.1 11
  149 2.4 24
//