ACCESSION: UF025012
RECORD_TITLE: 1H-1,2,3-Triazole; APCI-ITFT; MS2; CE: 120; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.28
AUTHORS: Krauss M, Schulze T, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: http://massbank.normandata.eu/MassBank/license.html
COPYRIGHT: Copyright (C) 2012
COMMENT: CONFIDENCE standard compound
COMMENT: WANA Internal ID 250
CH$NAME: 1H-1,2,3-Triazole
CH$NAME: 2H-1,2,3-triazole
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C2H3N3
CH$EXACT_MASS: 69.03270
CH$SMILES: N1C=CN=N1
CH$IUPAC: InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
CH$LINK: CAS 37306-44-8
CH$LINK: PUBCHEM CID:67516
CH$LINK: INCHIKEY QWENRTYMTSOGBR-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 60839
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: APCI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 120 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.5 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 70.03954
MS$FOCUSED_ION: PRECURSOR_M/Z 70.03997
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  70.04 32475.5 999
