ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008761
RECORD_TITLE: N-2-BUTENYL-N-BUTYLACETOAMIDE (2-D); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TSUNODA T, FACULTY OF PHARMACEUTICAL SCIENCES, TOKUSHIMA BUNRI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-2-BUTENYL-N-BUTYLACETOAMIDE (2-D)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₉NO
CH$EXACT_MASS: 169.14666
CH$SMILES: CCCCN(CC([2H])=CC)C(C)=O
CH$IUPAC: InChI=1S/C10H19NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4,6H,5,7-9H2,1-3H3/b6-4+/i6D
CH$LINK: INCHIKEY WJCKRGOUNCVHKN-DRXCQHCBSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-00di-4900000000-2ecf55e4adc3714ebc67
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 7.5 75
  29 7.5 75
  30 6.9 69
  31 6.5 65
  39 6.7 67
  41 6.5 65
  43 19.7 197
  44 11.5 115
  55 10 100
  70 14.4 144
  84 16.6 166
  112 5.9 59
  126 14.3 143
  127 9.6 96
  128 5.4 54
  140 12.4 124
  141 8.2 82
  169 32 320
  170 99.99 999
  171 55.2 552
  172 11.1 111
//