MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006964
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006964
RECORD_TITLE: ETHYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-002f-9000000000-a2cde32043924be5f69d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 3.08 31
18 1.29 13
26 3.31 33
27 30.63 306
28 4.36 44
29 46.09 461
30 1.48 15
31 1.15 12
38 1.11 11
39 10.39 104
40 2.11 21
41 26.76 268
42 13.26 133
43 99.99 999
44 3.24 32
45 9.73 97
55 1.82 18
57 1.39 14
70 1.02 10
71 39.81 398
72 1.59 16
73 7.73 77
88 7.3 73
89 5.19 52
101 1.47 15
116 9.79 98
//