ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000866
RECORD_TITLE: ISOCROTYLHYDRAZONE METHYLETHYLKETONE; 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$NAME: ISOCROTYLHYDRAZONE METHYLETHYLKETONE
CH$NAME: 2-BUTANONE (1-METHYL-2-PROPENYL)HYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆N₂
CH$EXACT_MASS: 140.13135
CH$SMILES: CCC(C)=NNC(C)C=C
CH$IUPAC: InChI=1S/C8H16N2/c1-5-7(3)9-10-8(4)6-2/h5,7,9H,1,6H2,2-4H3/b10-8-
CH$LINK: INCHIKEY FZUFUZKXCVIZON-NTMALXAHSA-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$SPLASH: splash10-0006-9200000000-3f3480c74328a6255ad1
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 18.5 185
  28 13 130
  29 33.3 333
  30 1.35 14
  31 1 10
  39 11.7 117
  40 2.2 22
  41 2.41 24
  42 99.99 999
  43 8.2 82
  44 22.3 223
  45 0.1 1
  51 1.1 11
  52 1 10
  53 4.8 48
  54 0.72 7
  55 33.3 333
  56 27.8 278
  57 13.9 139
  58 0.24 2
  62.5 1.2 12
  68 18.5 185
  69 7.2 72
  70 2.41 24
  71 5 50
  72 2.2 22
  82 2.2 22
  83 0.15 2
  84 3.2 32
  85 25.9 259
  86 4.3 43
  96 0.11 1
  97 2.2 22
  98 1.5 15
  111 6.7 67
  112 0.1 1
  113 14.6 146
  114 1.1 11
  124 1.7 17
  125 8.9 89
  126 8.9 89
  139 2 20
  140 48.2 482
  141 0.89 9
  142 1.1 11
//