ACCESSION: UF021803
RECORD_TITLE: 1-Aminodecane; APCI-ITFT; MS2; CE: 45; 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 218
CH$NAME: 1-Aminodecane
CH$NAME: 1-decanamine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C10H23N
CH$EXACT_MASS: 157.18305
CH$SMILES: CCCCCCCCCCN
CH$IUPAC: InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
CH$LINK: CAS 143-09-9
CH$LINK: PUBCHEM CID:8916
CH$LINK: INCHIKEY MHZGKXUYDGKKIU-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 8576
AC$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$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 (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 158.19032
MS$FOCUSED_ION: PRECURSOR_M/Z 158.19033
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  71.0855 27251.7 562
  85.1011 48362.5 999
