ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001824
RECORD_TITLE: BUTYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BUTYL BUTYRATE
CH$NAME: BUTYRIC ACID BUTYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0596-9000000000-d391cfb43ea3b2438e3d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  26 1.34 13
  27 17.85 179
  29 23.19 232
  31 2.04 20
  39 12.58 126
  40 2.67 27
  41 60.08 601
  42 11.6 116
  43 99.99 999
  44 4.01 40
  45 2.25 23
  55 12.51 125
  56 70.48 705
  57 22.14 221
  60 12.09 121
  61 2.11 21
  70 1.05 11
  71 81.94 819
  72 3.37 34
  73 6.54 65
  88 3.16 32
  89 35.84 358
  90 1.48 15
  101 4.43 44
//