ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000864
RECORD_TITLE: METHYLPROPARGYLHYDRAZONE ACETONE; 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$NAME: METHYLPROPARGYLHYDRAZONE ACETONE
CH$NAME: ACETONE METHYL(2-PROPYNYL)HYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂N₂
CH$EXACT_MASS: 124.10005
CH$SMILES: C#CCN(C)N=C(C)C
CH$IUPAC: InChI=1S/C7H12N2/c1-5-6-9(4)8-7(2)3/h1H,6H2,2-4H3
CH$LINK: INCHIKEY DACHQBBVFBDBSA-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$SPLASH: splash10-05ac-9100000000-146f67eb33cdcdb3dd9f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 12.5 125
  28 15 150
  29 0.88 9
  37 3 30
  38 8.1 81
  39 48.8 488
  40 1 10
  41 40 400
  42 65.6 656
  43 18.8 188
  44 3.75 38
  45 2.5 25
  51 1.2 12
  52 3.4 34
  53 0.62 6
  54 4.9 49
  55 3.8 38
  56 98.8 988
  57 0.49 5
  65 1.6 16
  66 8.8 88
  67 3.6 36
  68 1 10
  69 2.4 24
  70 2.4 24
  79 8.8 88
  80 0.19 2
  81 88.8 888
  82 8.8 88
  85 99.99 999
  86 0.58 6
  94 1.2 12
  99 0.8 8
  109 9.4 94
  123 1 10
  124 83.8 838
  125 7.8 78
//