MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005926
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005926
RECORD_TITLE: ETHYL 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$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY
OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6040111
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00du-9000000000-c6cfb5c94d0be8f6153a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 3.57 36
28 2.08 21
29 34.23 342
41 8.63 86
42 6.55 66
43 62.8 628
44 2.38 24
45 13.69 137
55 1.49 15
60 19.94 199
61 10.42 104
70 9.23 92
71 99.99 999
72 4.46 45
73 16.67 167
88 62.8 628
89 16.37 164
90 1.19 12
101 8.63 86
116 6.85 69
//