ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000314
RECORD_TITLE: N-SEC-BUTYLACETAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-SEC-BUTYLACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₃NO
CH$EXACT_MASS: 115.09971
CH$SMILES: CCC(C)NC(C)=O
CH$IUPAC: InChI=1S/C6H13NO/c1-4-5(2)7-6(3)8/h5H,4H2,1-3H3,(H,7,8)
CH$LINK: INCHIKEY FILVHGGOUFZULB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90324267

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-5ac9c4321fabc2c04fe1
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 4.7 47
  27 3.4 34
  28 4.1 41
  29 0.39 4
  30 2.2 22
  39 1.8 18
  41 5.6 56
  42 0.43 4
  43 19.9 199
  44 99.99 999
  45 2.5 25
  55 0.19 2
  56 2.7 27
  57 2.2 22
  58 24.2 242
  60 0.53 5
  72 2.5 25
  86 27.9 279
  87 1.5 15
  115 0.56 6
  116 1.8 18
//