MassBank Record: JP000207

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

ACCESSION: JP000207
RECORD_TITLE: ORTHO XYLENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO XYLENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H10 CH$EXACT_MASS: 106.07825 CH$SMILES: Cc(c1)c(C)ccc1 CH$IUPAC: InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3 CH$LINK: INCHIKEY CTQNGGLPUBDAKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021807
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$SPLASH: splash10-0006-9200000000-91162619463de43f7b46 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 5.07 51 38 1.66 17 39 12.77 128 41 1.4 14 50 4.9 49 51 11.02 110 52 3.15 32 53 2.27 23 62 1.92 19 63 6.04 60 65 8.49 85 77 12.51 125 78 6.82 68 79 7.61 76 89 1.75 18 91 99.99 999 92 7 70 103 4.64 46 104 1.75 18 105 15.4 154 106 33.51 335 107 2.62 26 //