MassBank Record: JP007129

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1,2,3-TRIMETHYLBENZENE; EI-B; MS
Mass Spectrum
Chemical Structure
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metabolomics-usi visualisation

ACCESSION: JP007129
RECORD_TITLE: 1,2,3-TRIMETHYLBENZENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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-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: splash10-0a4i-4900000000-82bebdcf0868386b88db PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 15 1.27 13 27 5.1 51 38 1.26 13 39 10.22 102 40 1.15 12 41 3.55 36 50 2.85 29 51 6.92 69 52 2.28 23 53 3.25 33 58 1.38 14 59 1.5 15 62 1.36 14 63 4.15 42 65 4.6 46 74 1.04 10 77 12.53 125 78 4.46 45 79 6.43 64 89 1.26 13 91 9.24 92 92 1.58 16 102 1.43 14 103 5.39 54 104 2.56 26 105 99.99 999 106 7.27 73 115 2.87 29 117 2.41 24 119 10.62 106 120 48.09 481 121 4.18 42 //