MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001303
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001303
RECORD_TITLE: ACETIC ACID ISOBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ACETIC ACID ISOBUTYL ESTER
CH$NAME: ISOBUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(C)COC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY
GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026837
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0006-9000000000-47909851abe2172156c6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 3.04 30
27 3.35 34
28 1.44 14
29 3.9 39
31 1 10
39 3.16 32
41 10.59 106
42 2.23 22
43 99.99 999
44 2.35 24
55 2.42 24
56 29.93 299
57 3.22 32
61 2.79 28
71 3.16 32
73 17.35 174
74 1.8 18
86 2.04 20
//