MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002544
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002544
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00g3-9000000000-78bbe008aa184177c5ca
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 1.08 11
15 5.16 52
26 3.92 39
27 36.35 364
28 7.98 80
29 62.86 629
30 1.56 16
31 2.14 21
38 1.14 11
39 10.83 108
40 1.87 19
41 25.58 256
42 10.51 105
43 90.45 905
44 3.19 32
45 19.23 192
55 3.59 36
60 22.4 224
61 9.96 100
70 9.02 90
71 99.99 999
72 4.91 49
73 17.82 178
88 56.98 570
89 15.31 153
101 7.18 72
116 8 80
//