ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000901
RECORD_TITLE: 3-ETHYL-1,4-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$NAME: 3-ETHYL-1,4-DIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CCC(=N1)C(C)CN(C)1
CH$IUPAC: InChI=1S/C7H14N2/c1-4-7-6(2)5-9(3)8-7/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY VEXJHDVLCQKJJU-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$SPLASH: splash10-03dl-9600000000-f8e254bac35dbdd4c20e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 10.4 104
  28 16.1 161
  29 0.88 9
  30 4.4 44
  39 9.4 94
  40 2.1 21
  41 1.66 17
  42 30.1 301
  43 20.3 203
  44 5.2 52
  51 0.09 1
  52 1.2 12
  53 2.4 24
  54 6.2 62
  55 1.4 14
  56 17.1 171
  57 1.7 17
  67 2.1 21
  68 0.78 8
  69 3 30
  70 2.6 26
  81 1.4 14
  82 0.44 4
  83 30.6 306
  84 6 60
  95 3.2 32
  96 0.35 4
  97 11.9 119
  98 1 10
  109 2.5 25
  110 0.16 2
  111 99.99 999
  112 7.3 73
  125 20.8 208
  126 5.19 52
  127 4.7 47
//