ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000410
RECORD_TITLE: 1-ISOBUTYL-3-METHYL-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$NAME: 1-ISOBUTYL-3-METHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16N2
CH$EXACT_MASS: 140.13135
CH$SMILES: CC(C)CN(C1)N=C(C)C1
CH$IUPAC: InChI=1S/C8H16N2/c1-7(2)6-10-5-4-8(3)9-10/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY ZEWMFEJLDHQAFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00335243
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$SPLASH: splash10-0002-9000000000-ed22e519551b348b9dd4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 0.4 4
  27 3.2 32
  28 6 60
  29 0.31 3
  30 0.3 3
  39 2.2 22
  41 4.3 43
  42 1.16 12
  43 1.3 13
  53 0.5 5
  54 1.1 11
  55 0.14 1
  56 3.1 31
  57 0.6 6
  58 0.3 3
  68 0.16 2
  69 6.8 68
  70 0.5 5
  82 0.3 3
  83 0.31 3
  84 0.7 7
  95 0.7 7
  96 0.8 8
  97 99.99 999
  98 4.7 47
  99 0.2 2
  125 0.6 6
  139 0.03 0
  140 7.7 77
  141 0.8 8
//
