ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000406
RECORD_TITLE: 1-ISOPROPYL-3,4-DIMETHYL-2-PYRAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 1-ISOPROPYL-3,4-DIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16N2
CH$EXACT_MASS: 140.13135
CH$SMILES: CC(C)N(C1)N=C(C)C(C)1
CH$IUPAC: InChI=1S/C8H16N2/c1-6(2)10-5-7(3)8(4)9-10/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY FLFFDGXRTTZWSA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60342271
AC$INSTRUMENT: SHIMADZU LKB-2091
AC$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$SPLASH: splash10-004i-5900000000-17ebb968d01e2dc280b4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 7.1 71
  28 2.5 25
  29 0.24 2
  30 2.4 24
  39 0.5 5
  40 1.4 14
  41 1.6 16
  42 23.7 237
  43 4.2 42
  44 1 10
  53 0.1 1
  54 2.4 24
  55 2.4 24
  56 11.6 116
  57 0.08 1
  68 1.8 18
  69 1.1 11
  70 1.2 12
  83 1.38 14
  84 0.7 7
  97 4.2 42
  98 0.7 7
  125 99.99 999
  126 8.2 82
  139 1.5 15
  140 17 170
  141 1.7 17
//
