ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000904
RECORD_TITLE: 1-ISOPROPYL-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$NAME: 1-ISOPROPYL-3-METHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CC(C)N(C1)N=C(C)C1
CH$IUPAC: InChI=1S/C7H14N2/c1-6(2)9-5-4-7(3)8-9/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY CKWZASMUQGBSSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20341543

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$SPLASH: splash10-03di-6900000000-9c071a21da0f81ab40a2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 6.4 64
  28 11.9 119
  29 0.43 4
  30 2.4 24
  39 5.5 55
  40 1.9 19
  41 1.07 11
  42 33.3 333
  43 6.7 67
  44 2.4 24
  45 0.13 1
  53 1.2 12
  54 3.6 36
  55 3.1 31
  56 1.53 15
  57 1.6 16
  58 1.4 14
  68 3.1 31
  69 0.33 3
  70 3.6 36
  71 1.4 14
  82 1.6 16
  83 2.38 24
  84 4.5 45
  100 1.4 14
  109 1.1 11
  111 99.99 999
  112 8.6 86
  125 2.2 22
  126 23.8 238
  127 2.4 24
//