MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001525
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001525
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-cfe87856bed7b9706c96
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
14 1.11 11
15 9.16 92
27 10.69 107
28 2.34 23
29 17.89 179
31 3.54 35
39 8.31 83
40 1.53 15
41 32.97 330
42 2.13 21
43 99.99 999
44 2.43 24
55 2.98 30
56 38.81 388
57 52.82 528
58 2.26 23
59 35.95 360
60 1.32 13
61 2.56 26
101 16.95 170
//