MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004703
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004703
RECORD_TITLE: 1,3,5-TRIMETHYLBENZENE; 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$NAME: 1,3,5-TRIMETHYLBENZENE
CH$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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0ab9-2900000000-57c888686dc5a578d8dc
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
50 1.81 18
51 5.51 55
52 2.12 21
53 2.91 29
59 4.01 40
63 3.07 31
65 3.78 38
77 9.85 99
78 3.3 33
79 6.3 63
89 1.41 14
91 8.74 87
103 5.35 54
104 3.23 32
105 99.99 999
106 9.45 95
115 3.62 36
117 4.49 45
118 3.23 32
119 17.1 171
120 68.16 682
121 7.09 71
//