MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006022
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006022
RECORD_TITLE: HEXAMETHYLETHANE; 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$NAME: HEXAMETHYLETHANE
CH$NAME: 2,2,3,3-TERTMETHYLBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18
CH$EXACT_MASS: 114.14085
CH$SMILES: CC(C)(C)C(C)(C)C
CH$IUPAC: InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3
CH$LINK: INCHIKEY
OMMLUKLXGSRPHK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9073204
AC$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: splash10-0a4i-9000000000-dcfa906988445e9870c6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
15 0.8 8
27 3.9 39
28 3.4 34
29 1.09 11
32 1 10
39 5.1 51
40 1.1 11
41 2.15 22
42 1.3 13
43 14.5 145
44 0.7 7
51 0.06 1
53 1.2 12
55 3.3 33
56 35.3 353
57 99.99 999
58 4.6 46
67 0.6 6
69 1.6 16
71 0.06 1
83 1 10
99 7.9 79
100 0.8 8
//