ACCESSION: UF029001
RECORD_TITLE: N-Phenyl-2-naphthylamine; APCI-ITFT; MS2; CE: 25; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.29
AUTHORS: Gallampois C, 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 290
CH$NAME: N-Phenyl-2-naphthylamine
CH$NAME: 2-Naphthalenamine, N-phenyl-
CH$NAME: 2-naphthyl(phenyl)amine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C16H13N
CH$EXACT_MASS: 219.1048
CH$SMILES: c3c(Nc1ccccc1)cc2ccccc2c3
CH$IUPAC: InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
CH$LINK: CAS 135-88-6
CH$LINK: KEGG C14694
CH$LINK: PUBCHEM CID:8679
CH$LINK: INCHIKEY KEQFTVQCIQJIQW-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 8355
AC$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 25 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.3 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 220.11063
MS$FOCUSED_ION: PRECURSOR_M/Z 220.11208
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  92.0495 58658.9 26
  104.0495 4450 2
  115.0543 39231.4 18
  117.0699 3499 1
  128.0621 27803.4 12
  142.0651 125406.3 57
  143.0729 351980.9 161
  178.0777 5509.5 2
  179.0855 4864.3 2
  191.073 2736.6 1
  191.0856 3896.4 1
  193.1012 31203.1 14
  202.0779 2876.6 1
  203.0856 125324.9 57
  204.0809 22811.6 10
  204.0934 6385.4 2
  205.0887 189309.4 86
  217.089 9483.3 4
  218.0966 27663.7 12
  219.1045 12668.3 5
  220.112 2174352.8 999
