MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007130
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007130
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0ab9-4900000000-5c2bc7e7be9e0d07f7c2
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 1.05 11
27 4.92 49
38 1.31 13
39 10.44 104
40 1.01 10
41 3.5 35
50 2.97 30
51 7.72 77
52 2.51 25
53 3.26 33
58 1.39 14
59 1.86 19
62 1.29 13
63 3.89 39
65 4.44 44
74 1.23 12
75 1.06 11
77 13.84 138
78 4.3 43
79 5.89 59
89 1.25 13
91 11.3 113
92 1.82 18
102 1.19 12
103 5.77 58
104 2.97 30
105 99.99 999
106 9.3 93
115 2.98 30
117 2.28 23
119 15.03 150
120 62.07 621
121 5.3 53
//