MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007069
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007069
RECORD_TITLE: ISOBUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
110-19-0
CH$LINK: INCHIKEY
GJRQTCIYDGXPES-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5026837
AC$INSTRUMENT: HITACHI M-80B
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-ef6ece5c35a5dd154ad5
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 3.28 33
27 4.78 48
29 3.98 40
39 5.33 53
40 1.04 10
41 11.6 116
42 3.16 32
43 99.99 999
44 2.5 25
55 2.32 23
56 32.38 324
57 4.06 41
61 3.14 31
71 3.43 34
73 19.57 196
74 1.72 17
86 2.32 23
//