MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005912
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005912
RECORD_TITLE: ETHYL ISOBUTYRATE; 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$NAME: ETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
WDAXFOBOLVPGLV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047728
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$SPLASH: splash10-0006-9000000000-cda38c45f8e8f3e49d4f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 3.88 39
29 39.23 392
30 1.14 11
41 10.26 103
42 13.27 133
43 99.99 999
44 3.65 37
45 9.01 90
57 1.7 17
70 1.71 17
71 54.39 544
72 2.51 25
73 8.89 89
78 1.14 11
88 13.68 137
89 8.16 82
101 2.85 29
116 21.32 213
117 1.71 17
//