MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001377
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001377
RECORD_TITLE: 1,3,5-TRI-TERT-BUTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,3,5-TRI-TERT-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H30
CH$EXACT_MASS: 246.23475
CH$SMILES: CC(C)(C)c(c1)cc(cc1C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3
CH$LINK: INCHIKEY
GUFMBISUSZUUCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50163255
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-001i-3190000000-424fee2a2ebac213a9f6
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
40 4.72 47
55 1.59 16
57 47.87 479
58 2.35 24
91 1.99 20
94 4.31 43
100 1.5 15
108 6.66 67
109 1.22 12
115 1.23 12
117 1.12 11
128 1.26 13
129 1.26 13
131 1.1 11
159 1.25 13
175 2.05 21
203 1.22 12
215 2.32 23
231 99.99 999
232 19.79 198
233 2.04 20
246 17.03 170
247 3.67 37
//