MassBank Record: JP001818

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

ACCESSION: JP001818
RECORD_TITLE: ORTHO-ANISIDINE; 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$NAME: ORTHO-ANISIDINE CH$NAME: ORTHO-METHOXYANILINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H9NO CH$EXACT_MASS: 123.06841 CH$SMILES: COc(c1)c(N)ccc1 CH$IUPAC: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3 CH$LINK: INCHIKEY VMPITZXILSNTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023877
AC$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: splash10-0ac0-8900000000-1e225ec069e10e5f0553 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 15 2.44 24 26 1.4 14 27 5.98 60 28 7.8 78 29 1.28 13 37 1.28 13 38 3.54 35 38.5 1.1 11 39 10.3 103 40 1.22 12 41 3.11 31 50 3.66 37 51 6.71 67 52 13.6 136 53 20.67 207 54 3.66 37 62 1.46 15 63 3.66 37 64 2.32 23 65 12.8 128 66 2.5 25 77 2.13 21 78 2.5 25 79 2.13 21 80 67.56 676 81 4.57 46 91 1 10 92 5.98 60 93 2.13 21 94 1.89 19 108 99.99 999 109 7.62 76 123 85.85 859 124 7.43 74 //