MassBank Record: RP018601



 1-Hydroxyphenanzine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP018601
RECORD_TITLE: 1-Hydroxyphenanzine; LC-ESI-QTOF; MS2; CE: 10; 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 186

CH$NAME: 1-Hydroxyphenanzine CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C12H8N2O CH$EXACT_MASS: 196.06366 CH$SMILES: c1ccc2c(c1)nc3cccc(c3n2)O CH$IUPAC: InChI=1S/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H CH$LINK: CAS 528-71-2 CH$LINK: CHEBI 62216 CH$LINK: INCHIKEY SVRNCBGWUMMBQB-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 10293196
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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 AC$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$CHROMATOGRAPHY: RETENTION_TIME 4.102 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 197.0707 MS$FOCUSED_ION: PRECURSOR_M/Z 197.0709 MS$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$SPLASH: splash10-0002-0900000000-8a98dcd1b1aed6f18876 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 168.0682 1124 1 169.076 9882 12 179.0604 1726 2 197.0706 764786 999 //