MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002555
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002555
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-f3988eecc5f86a2f81e5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 2.53 25
26 2.33 23
27 20.91 209
28 4.31 43
29 45.77 458
30 1.07 11
31 1.22 12
39 6.71 67
40 1.36 14
41 21.23 212
42 14.08 141
43 99.99 999
44 3.36 34
45 10.01 100
55 1.38 14
57 1.28 13
70 1.47 15
71 43.41 434
72 2.08 21
73 3.49 35
88 9.03 90
89 6.12 61
101 2.18 22
116 15.89 159
117 1.2 12
//