MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007669
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007669
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; 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$NAME: 1,3,5-TRIMETHYLBENZENE
CH$NAME: MESITYLENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12
CH$EXACT_MASS: 120.09390
CH$SMILES: Cc(c1)cc(C)cc(C)1
CH$IUPAC: InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
CH$LINK: CAS
108-67-8
CH$LINK: INCHIKEY
AUHZEENZYGFFBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6026797
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$SPLASH: splash10-0a4i-4900000000-915fdce919b5b36327c3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 5.41 54
38 1.09 11
39 9.79 98
40 1.34 13
41 4.93 49
50 2.98 30
51 7.48 75
52 2.62 26
53 3.53 35
57.5 1.46 15
58 1.95 20
59 2.31 23
62 1.34 13
63 4.2 42
65 5.41 54
74 1.09 11
77 13.38 134
78 4.62 46
79 10.89 109
89 1.22 12
91 9.91 99
92 1.52 15
102 1.16 12
103 7.18 72
104 2.62 26
105 99.99 999
106 8.76 88
115 3.35 34
117 2.74 27
119 12.1 121
120 49.82 498
121 4.87 49
//