MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005829
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005829
RECORD_TITLE: ISOBUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9000000000-49585f528507ace5b393
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29 1.3 13
41 6.39 64
42 1 10
43 99.99 999
44 2.26 23
55 2.46 25
56 50.81 508
57 4.68 47
61 5.24 52
71 7.1 71
73 36.02 360
74 3.26 33
86 4.7 47
116 0.98 10
//