ACCESSION: UF023613
RECORD_TITLE: 2-Aminopyridine; APCI-ITFT; MS2; CE: 150; 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 236
CH$NAME: 2-Aminopyridine
CH$NAME: 2-Pyridinamine
CH$NAME: 2-pyridinamine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C5H6N2
CH$EXACT_MASS: 94.05310
CH$SMILES: NC1=NC=CC=C1
CH$IUPAC: InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
CH$LINK: CAS 24843-39-8
CH$LINK: PUBCHEM CID:10439
CH$LINK: INCHIKEY ICSNLGPSRYBMBD-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 10008
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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.2 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 95.06007
MS$FOCUSED_ION: PRECURSOR_M/Z 95.06037
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  78.0338 48229.3 999
  95.0603 17083.7 353
