ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000874
RECORD_TITLE: ISOPROPYLHYDRAZONE CROTONE ALDEHYDE; 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$NAME: ISOPROPYLHYDRAZONE CROTONE ALDEHYDE
CH$NAME: 2-BUTENAL ISOPROPYLHYDRAZONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄N₂
CH$EXACT_MASS: 126.11570
CH$SMILES: CC=CC=NNC(C)C
CH$IUPAC: InChI=1S/C7H14N2/c1-4-5-6-8-9-7(2)3/h4-7,9H,1-3H3/b5-4+,8-6+
CH$LINK: INCHIKEY VFPIMXUWBJRDMY-DVBIZMGNSA-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$SPLASH: splash10-01r6-9300000000-4181488a212155c6a426
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 29.5 295
  27 29.5 295
  28 18 180
  29 0.98 10
  30 8.4 84
  39 32.8 328
  40 5.1 51
  41 6.07 61
  42 36.1 361
  43 27 270
  44 86.9 869
  45 0.25 3
  53 7.9 79
  54 4.9 49
  55 13.1 131
  56 2.13 21
  57 3.6 36
  58 6.4 64
  67 6.2 62
  68 2.95 30
  69 27.9 279
  70 6.6 66
  81 2.3 23
  82 0.9 9
  83 55.9 559
  84 4.6 46
  111 99.99 999
  112 0.72 7
  126 59.9 599
  127 5.1 51
//