ACCESSION: UF029012
RECORD_TITLE: N-Phenyl-2-naphthylamine; APCI-ITFT; MS2; CE: 120; 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$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 120 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.3 min
AC$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: 28
PK$PEAK: m/z int. rel.int.
  65.0385 6008.4 17
  77.0386 1617.3 4
  91.0543 1877.5 5
  92.0496 8394.4 25
  93.0573 43150.9 129
  95.0493 1304.7 3
  102.0466 1121.9 3
  105.0448 1268.3 3
  115.0543 115500.1 345
  116.0621 97348.1 291
  117.0573 4212.3 12
  126.0464 6548.8 19
  127.0542 4701.9 14
  128.0621 45309.2 135
  129.0447 963.3 2
  142.0652 15553.3 46
  143.073 333983.7 999
  145.0646 1351.6 4
  155.0605 10372.3 31
  165.07 1986.2 5
  177.0697 1175.2 3
  178.0777 2572.3 7
  191.0857 916.6 2
  202.0778 27587.6 82
  203.0858 1803.4 5
  204.0809 5545 16
  217.0887 7416.2 22
  218.0966 5722.4 17
