MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007070
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007070
RECORD_TITLE: TERT-BUTYL 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$NAME: TERT-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CC(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3
CH$LINK: CAS
540-88-5
CH$LINK: INCHIKEY
WMOVHXAZOJBABW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022055
AC$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: splash10-052f-9000000000-d84d771268471c3e5ca5
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 8.12 81
27 7.59 76
28 1.76 18
29 15.99 160
31 2.72 27
39 11.94 119
40 1.78 18
41 32.58 326
42 4.39 44
43 99.99 999
44 2.39 24
55 2.75 28
56 29.67 297
57 54.56 546
58 2.62 26
59 33.82 338
61 1.85 19
101 15.93 159
//