MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004716
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004716
RECORD_TITLE: 1,2,4,5-TETRAMETHYLBENZENE; 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$NAME: 1,2,4,5-TETRAMETHYLBENZENE
CH$NAME: DURENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: Cc(c1)c(C)cc(C)c(C)1
CH$IUPAC: InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3
CH$LINK: CAS
95-93-2
CH$LINK: INCHIKEY
SQNZJJAZBFDUTD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1029124
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$SPLASH: splash10-0159-2900000000-c5e275a652f2792c1cad
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
50 1.09 11
51 3.58 36
52 1.34 13
53 2.76 28
57 1.1 11
58 1.17 12
63 2.11 21
64 2.28 23
65 5.36 54
66 2.77 28
67 1.54 15
77 6.11 61
78 1.57 16
79 2.53 25
91 11.32 113
92 1.17 12
93 1.34 13
103 2.87 29
104 1.75 18
105 3.1 31
115 4.86 49
116 2.1 21
117 6.08 61
118 2.3 23
119 99.99 999
120 10.04 100
133 12.67 127
134 64.76 648
135 7.2 72
//
system version 2.2.8-SNAPSHOT