MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001523
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001523
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$LINK: COMPTOX
DTXSID5026837
CH$LINK: INCHIKEY
GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8038
AC$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: splash10-0006-9000000000-32ed7cd25a7cd585255a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 4.72 47
27 4.98 50
28 1.64 16
29 4.72 47
31 1.38 14
39 4.46 45
40 1.03 10
41 11.8 118
42 1.8 18
43 99.99 999
44 2.41 24
55 2.57 26
56 35.76 358
57 4.05 41
61 3.85 39
71 3.85 39
73 17.49 175
74 1.8 18
86 2.26 23
116 0.56 6
//