ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004628
RECORD_TITLE: EXO-7-METHYLBICYCLO(4.1.0)HEPT-2-EN-ENDO-7-PROPANENITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: EXO-7-METHYLBICYCLO(4.1.0)HEPT-2-EN-ENDO-7-PROPANENITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₅N
CH$EXACT_MASS: 161.12045
CH$SMILES: N#CCCC(C)(C([H])21)C([H])(C=CCC2)1
CH$IUPAC: InChI=1S/C11H15N/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,9-10H,3-4,6-7H2,1H3/t9-,10+,11-/m1/s1
CH$LINK: INCHIKEY IONBRIXRMLDYDE-OUAUKWLOSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-2900000000-6c518a338afc104e172a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41 4.6 46
  43 23.8 238
  79 30.1 301
  91 0.47 5
  93 6.1 61
  104 12.6 126
  107 37.8 378
  118 0.73 7
  119 99.99 999
  120 20 200
  121 12 120
  129 0.58 6
  132 4.9 49
  133 6.7 67
  134 10.9 109
  144 1.72 17
  145 4.5 45
  146 15.3 153
  160 13.9 139
  161 1.27 13
  162 1.4 14
//