ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009793
RECORD_TITLE: 2-CYANO-4-PHENYLPENTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-CYANO-4-PHENYLPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H15N
CH$EXACT_MASS: 173.12045
CH$SMILES: N#CC(C)C(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H15N/c1-3-12(10(2)9-13)11-7-5-4-6-8-11/h4-8,10,12H,3H2,1-2H3
CH$LINK: INCHIKEY LPJQHUZTKUSKPA-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0a4i-2900000000-7f9be65666f621ce4626
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39 2.8 28
  41 3 30
  51 3.1 31
  77 1.02 10
  78 4.5 45
  79 7.5 75
  91 20.8 208
  103 0.7 7
  104 4.8 48
  105 99.99 999
  106 25 250
  115 0.17 2
  117 1.6 16
  119 8.8 88
  158 2.2 22
  173 2.06 21
  174 1.9 19
//
