MassBank Record: JP011317

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1,2,3-TRIMETHYLBENZENE; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP011317
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRIMETHYLBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H12 CH$EXACT_MASS: 120.09390 CH$SMILES: Cc(c1)c(C)c(C)cc1 CH$IUPAC: InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 CH$LINK: CAS 526-73-8 CH$LINK: INCHIKEY FYGHSUNMUKGBRK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8047769
AC$INSTRUMENT: HITACHI M-2500 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: splash10-0ab9-2900000000-4249969893bf07e58bb1 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 27 2.93 29 39 5.53 55 41 3.11 31 50 1.58 16 51 4.75 48 52 1.52 15 53 2.13 21 58 2.22 22 59 2.76 28 63 2.5 25 65 3.54 35 77 9.29 93 78 3.11 31 79 6.14 61 91 8.23 82 92 1.53 15 102 1.03 10 103 5.3 53 104 2.63 26 105 99.99 999 106 9.1 91 115 3.31 33 117 3.36 34 118 1.24 12 119 17.94 179 120 72.16 722 121 7.01 70 //