ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000862
RECORD_TITLE: ALLYLHYDRAZONE ISOBUTYRALDEHYDE; 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$NAME: ALLYLHYDRAZONE ISOBUTYRALDEHYDE
CH$NAME: ISOBUTYRALDEHYDE ALLYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: C=CCNN=CC(C)C
CH$IUPAC: InChI=1S/C7H14N2/c1-4-5-8-9-6-7(2)3/h4,6-8H,1,5H2,2-3H3/b9-6+
CH$LINK: INCHIKEY WPPLATYTIDUBIO-RMKNXTFCSA-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$SPLASH: splash10-056u-9100000000-f1c4e8e4a4158c396f43
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  28 57.9 579
  29 53.3 533
  30 30.6 306
  39 3.38 34
  40 6.7 67
  41 99.99 999
  42 21.3 213
  43 3.6 36
  44 8.9 89
  52 1.8 18
  53 4 40
  54 0.89 9
  55 53.3 533
  56 49 490
  57 23.6 236
  58 0.8 8
  66 2.2 22
  67 2.1 21
  68 9.8 98
  69 0.89 9
  70 6.2 62
  81 5.3 53
  82 2.8 28
  83 1.33 13
  84 4.9 49
  85 40 400
  86 2.4 24
  97 3.02 30
  98 3.6 36
  99 10.7 107
  111 19.1 191
  112 0.15 2
  125 2.8 28
  126 40 400
  127 5.3 53
//