MassBank Record: RP018802



 2-Hydroxyphenanzine-1-Carboxylic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP018802
RECORD_TITLE: 2-Hydroxyphenanzine-1-Carboxylic acid; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
DATE: 2017.10.25
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 188

CH$NAME: 2-Hydroxyphenanzine-1-Carboxylic acid CH$NAME: 2-Hydroxyphenazine-1-carboxylic acid CH$NAME: 2-oxo-10H-phenazine-1-carboxylic acid CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C13H8N2O3 CH$EXACT_MASS: 240.05349 CH$SMILES: C1=CC=C2C(=C1)NC3=C(C(=O)C=CC3=N2)C(=O)O CH$IUPAC: InChI=1S/C13H8N2O3/c16-10-6-5-9-12(11(10)13(17)18)15-8-4-2-1-3-7(8)14-9/h1-6,15H,(H,17,18) CH$LINK: CAS 4075-25-6 CH$LINK: PUBCHEM CID:77692 CH$LINK: INCHIKEY GVQIFYBFFGQRGS-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 70093
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 4.236 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 79.0203 MS$FOCUSED_ION: PRECURSOR_M/Z 241.0608 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-00dl-0090000000-f1040bc0dcc6743a4c08 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 57.0545 68 1 88.0517 74 1 93.0173 96 1 99.044 74 1 99.0679 84 1 100.0152 70 1 115.0622 72 1 122.0424 90 1 123.052 80 1 127.0163 80 1 137.0119 70 1 139.0156 80 1 141.0767 76 1 144.0088 88 1 149.0679 68 1 152.0468 112 1 152.9924 94 1 156.0565 96 1 161.0823 86 1 167.0594 750 11 168.0389 80 1 169.025 68 1 179.0603 1692 25 180.0633 202 3 191.0444 88 1 193.0274 88 1 195.0554 458 6 200.0309 68 1 201.0629 70 1 213.0022 66 1 217.0164 74 1 219.989 108 1 223.0501 65616 999 224.0533 8140 123 232.0332 94 1 241.061 42638 649 243.0655 656 9 //