ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000902
RECORD_TITLE: 5-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$NAME: 5-ETHYL-1,4-DIMETHYL-2-PYRAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CCC(C(C)1)N(C)N=C1
CH$IUPAC: InChI=1S/C7H14N2/c1-4-7-6(2)5-8-9(7)3/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY LSAFIEKJCBNDJB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40340634

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$SPLASH: splash10-0002-9000000000-79f9e4a0011fcce73a10
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  26 0.6 6
  27 4.5 45
  28 11.4 114
  29 0.39 4
  30 3.6 36
  38 0.4 4
  39 4.5 45
  40 0.04 0
  41 6.1 61
  42 15.2 152
  43 2.8 28
  44 0.05 1
  51 0.4 4
  52 0.4 4
  53 1.4 14
  54 0.15 2
  55 2.2 22
  56 18.1 181
  57 1.3 13
  67 0.06 1
  68 1.8 18
  69 0.7 7
  70 3.9 39
  71 0.05 1
  80 0.4 4
  81 1 10
  82 1.8 18
  83 0.18 2
  95 2 20
  96 0.8 8
  97 99.99 999
  98 0.63 6
  109 0.5 5
  111 0.8 8
  125 0.5 5
  126 1.36 14
  127 1.3 13
//