MassBank Record: EQ318601



 1H-1,2,3-triazole-5-OH; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: EQ318601
RECORD_TITLE: 1H-1,2,3-triazole-5-OH; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
DATE: 2015.08.25
AUTHORS: Huntscha SDepartment of Environmental Chemistry, Eawag, Stravs MDepartment of Environmental Chemistry, Eawag, Schymanski EDepartment of Environmental Chemistry, Eawag, Singer HDepartment of Environmental Chemistry, Eawag, Department of Environmental Chemistry, Eawag
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2015 Eawag, Duebendorf, Switzerland
COMMENT: CONFIDENCE standard compound
COMMENT: EAWAG_UCHEM_ID 3186

CH$NAME: 1H-1,2,3-triazole-5-OH CH$NAME: 1H-1,2,3-Triazol-4-ol CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C2H3N3O CH$EXACT_MASS: 85.02761 CH$SMILES: Oc1cnn[nH]1 CH$IUPAC: InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6) CH$LINK: CAS 124531-95-9 CH$LINK: PUBCHEM CID:17887248 CH$LINK: INCHIKEY QEASJVYPHMYPJM-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 14060344
AC$INSTRUMENT: Q Exactive Orbitrap Thermo Scientific AC$INSTRUMENT_TYPE: LC-ESI-QFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 (nominal) AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min AC$CHROMATOGRAPHY: FLOW_RATE 200 ul/min AC$CHROMATOGRAPHY: RETENTION_TIME 1.0 min AC$CHROMATOGRAPHY: SOLVENT A water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 86.0353 MS$FOCUSED_ION: PRECURSOR_M/Z 86.0349 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: DEPROFILE Spline MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1 MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 1.9.6
PK$SPLASH: splash10-000i-9000000000-ace7204417d2fc7e5646 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 57.0211 C2H3NO+ 1 57.0209 3.07 58.0401 CH4N3+ 1 58.04 3.04 86.0348 C2H4N3O+ 1 86.0349 -0.68 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 57.0211 1316921.6 11 58.0401 506538.2 4 86.0348 118679679.5 999 //