ACCESSION: UF021309
RECORD_TITLE: 4-Amino-2-chloropyridine; APCI-ITFT; MS2; CE: 75; 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 213
CH$NAME: 4-Amino-2-chloropyridine
CH$NAME: (2-chloro-4-pyridyl)amine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C5H5ClN2
CH$EXACT_MASS: 128.01413
CH$SMILES: NC1=CC(Cl)=NC=C1
CH$IUPAC: InChI=1S/C5H5ClN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8)
CH$LINK: CAS 14432-12-3
CH$LINK: PUBCHEM CID:84432
CH$LINK: INCHIKEY BLBDTBCGPHPIJK-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 76163
AC$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 75 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.9 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 125.07069
MS$FOCUSED_ION: PRECURSOR_M/Z 129.0214
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  93.0446 16013.4 26
  129.0212 615234.4 999
