ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002547
RECORD_TITLE: N-BUTYL BUTYRATE; 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$NAME: N-BUTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY XUPYJHCZDLZNFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041702

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05g3-9000000000-6475886c051aaeebd2f5
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.88 19
  26 1.68 17
  27 21.96 220
  28 6.32 63
  29 24.17 242
  31 2.18 22
  39 9.34 93
  40 1.61 16
  41 35.77 358
  42 5.06 51
  43 60.09 601
  44 1.98 20
  45 1.47 15
  55 7.59 76
  56 63.43 634
  57 19.82 198
  60 11.4 114
  61 2.07 21
  70 1.35 14
  71 99.99 999
  72 4.85 49
  73 7.22 72
  88 6.87 69
  89 60.61 606
  90 2.94 29
  101 6.87 69
  116 2.37 24
  144 0.39 4
//