ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000408
RECORD_TITLE: 4-ETHYL-1-ISOPROPYL-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$NAME: 4-ETHYL-1-ISOPROPYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆N₂
CH$EXACT_MASS: 140.13135
CH$SMILES: CCC(C=1)CN(N1)C(C)C
CH$IUPAC: InChI=1S/C8H16N2/c1-4-8-5-9-10(6-8)7(2)3/h5,7-8H,4,6H2,1-3H3
CH$LINK: INCHIKEY YYDARPMCZIBRBD-UHFFFAOYSA-N

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$SPLASH: splash10-004i-9800000000-0f7e4f88a58f4d4cb102
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 0.8 8
  27 9.8 98
  29 4.1 41
  30 0.29 3
  39 6.2 62
  40 1.6 16
  41 11.4 114
  42 1.73 17
  43 7.5 75
  44 3.3 33
  52 0.5 5
  53 0.1 1
  54 2.8 28
  55 5.2 52
  56 11.4 114
  57 0.09 1
  67 0.6 6
  68 2.1 21
  69 47.5 475
  70 0.34 3
  81 0.8 8
  82 0.9 9
  83 1.2 12
  95 0.11 1
  96 1.7 17
  97 2.3 23
  98 0.5 5
  111 0.15 2
  125 99.99 999
  126 8.5 85
  139 1.4 14
  140 1.77 18
  141 1.8 18
//