ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008754
RECORD_TITLE: N-(ACETOXYACETYL)-N-BUTYLBENZAMIDE; 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$NAME: N-(ACETOXYACETYL)-N-BUTYLBENZAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₉NO₄
CH$EXACT_MASS: 277.13141
CH$SMILES: CCCCN(C(=O)COC(C)=O)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H19NO4/c1-3-4-10-16(14(18)11-20-12(2)17)15(19)13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3
CH$LINK: INCHIKEY SYAZCNUTZALLGP-UHFFFAOYSA-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$SPLASH: splash10-0a6u-9510000000-df12766f01ac2e57130b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 9.1 91
  28 8.8 88
  29 8.9 89
  39 5.4 54
  41 8.4 84
  42 5.4 54
  43 85.9 859
  50 6.2 62
  51 27.7 277
  72 5.2 52
  73 7.1 71
  76 6 60
  77 98.3 983
  78 9 90
  101 5.7 57
  104 7 70
  105 99.99 999
  106 28.8 288
  148 11.8 118
  160 6.1 61
  162 7.7 77
  178 6.6 66
  204 11.8 118
  216 15.8 158
  217 13.1 131
  218 8.7 87
  277 0.3 3
  278 0.6 6
//