MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008892
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008892
RECORD_TITLE: TERT-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: TERT-BUTANOL
CH$NAME: 1,1-DIMETHYL ETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H10O
CH$EXACT_MASS: 74.07316
CH$SMILES: CC(C)(C)O
CH$IUPAC: InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
CH$LINK: INCHIKEY
DKGAVHZHDRPRBM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020204
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0a4i-9000000000-6712497b9eeb1353c71a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
14 2 20
15 11.8 118
26 1.94 19
27 7.99 80
28 1.94 19
29 8.43 84
31 29.21 292
38 1.81 18
39 9.11 91
40 1.19 12
41 21.1 211
42 3.12 31
43 15.04 150
44 1.19 12
55 2.75 28
56 1.31 13
57 9.74 97
58 1 10
59 99.99 999
60 3.68 37
//