ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000821
RECORD_TITLE: N-PROPYLHYDRAZONE 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$NAME: N-PROPYLHYDRAZONE ACETONE
CH$NAME: ACETONE PROPYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄N₂
CH$EXACT_MASS: 114.11570
CH$SMILES: CCCNN=C(C)C
CH$IUPAC: InChI=1S/C6H14N2/c1-4-5-7-8-6(2)3/h7H,4-5H2,1-3H3
CH$LINK: INCHIKEY BBXDSCHJVVIYFF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90225225

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$SPLASH: splash10-0a4r-9000000000-39f2eb9ae97344bf0598
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 9.9 99
  28 15.5 155
  29 8 80
  30 1.27 13
  31 1.7 17
  32 1.1 11
  39 7.1 71
  40 0.25 3
  41 12.7 127
  42 12 120
  43 5.6 56
  44 0.15 2
  54 3 30
  55 2.1 21
  56 99.99 999
  57 0.69 7
  58 3.9 39
  71 2.1 21
  72 5.6 56
  83 0.13 1
  85 91.5 915
  86 5.6 56
  99 1.5 15
  113 0.06 1
  114 26.8 268
  115 3.4 34
//