MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005166
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005166
RECORD_TITLE: TERT-BUTYL 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$NAME: TERT-BUTYL ACETATE
CH$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$LINK: INCHIKEY
WMOVHXAZOJBABW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1022055
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$SPLASH: splash10-0a4l-9000000000-4ca2c6c1dc82d9a3fd65
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29 11.06 111
31 1.23 12
41 23.82 238
43 99.99 999
44 2.31 23
55 1.88 19
56 67.27 673
57 73.35 734
58 3.12 31
59 42.74 427
60 1.39 14
61 3.86 39
101 27.97 280
102 1.67 17
//