MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005830
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005830
RECORD_TITLE: TERT-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4l-9000000000-757f50eb0b5073d948ce
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
27 1.91 19
29 13.67 137
31 1.82 18
39 4.19 42
40 1.22 12
41 38.58 386
42 2.61 26
43 99.99 999
44 2.12 21
55 3.16 32
56 36.38 364
57 95.12 951
58 4.27 43
59 43.2 432
60 1.54 15
61 2.28 23
101 23.16 232
102 1.36 14
117 2.4 24
//