MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005167
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005167
RECORD_TITLE: ISOBUTYL ACETATE; 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$NAME: ISOBUTYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-497069f05d541433b66e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
29 1.85 19
41 7.17 72
43 99.99 999
44 2.22 22
55 2.17 22
56 51.43 514
57 4.61 46
61 4.62 46
71 5.32 53
73 25.42 254
74 2.93 29
86 3.48 35
116 0.6 6
//