ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010169
RECORD_TITLE: 3,3-DICYANO-1-METHYL-4-PHENYLPYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,3-DICYANO-1-METHYL-4-PHENYLPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃N₃
CH$EXACT_MASS: 211.11095
CH$SMILES: N#CC(C#N)(C2)C(CN(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H13N3/c1-16-7-12(11-5-3-2-4-6-11)13(8-14,9-15)10-16/h2-6,12H,7,10H2,1H3
CH$LINK: INCHIKEY QMVUZDKUOLUWBB-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9100000000-92179fd1ba9c98792b86
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  38 12.55 126
  40 8.38 84
  41 99.99 999
  42 11.89 119
  50 8.74 87
  51 19.43 194
  52 9.61 96
  57 87.99 880
  58 3.33 33
  63 8.21 82
  64 3.09 31
  65 9.07 91
  76 19.56 196
  77 13.07 131
  78 4.9 49
  89 8.62 86
  90 3.1 31
  91 10.17 102
  103 18.75 188
  104 11.2 112
  127 9.82 98
  128 3.29 33
  130 1.37 14
  134 1.24 12
  140 3.59 36
  141 1.71 17
  153 2.63 26
  154 7.78 78
  155 1.22 12
  168 1.04 10
  211 3.13 31
//