ACCESSION: UF029003
RECORD_TITLE: N-Phenyl-2-naphthylamine; APCI-ITFT; MS2; CE: 45; 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 45 (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: 26
PK$PEAK: m/z int. rel.int.
  65.0384 1567.3 2
  92.0495 87141.6 165
  93.0574 2380.3 4
  104.0495 5862.8 11
  115.0542 59395.4 112
  117.0698 5748.9 10
  128.062 48298.8 91
  142.0651 192229.2 364
  143.0729 526777.1 999
  165.0698 1357.9 2
  167.0856 1670.3 3
  178.0777 7927.6 15
  179.0856 7600.3 14
  191.0729 5522.2 10
  191.0856 4116.2 7
  192.081 2177.6 4
  193.1012 45641.3 86
  202.0777 5144.9 9
  203.0855 187140.2 354
  204.0807 37682.6 71
  204.0933 11331.6 21
  205.0885 280772.4 532
  217.0885 6228.3 11
  218.0959 2393.1 4
  220.1119 1100.2 2
  231.0916 2868.5 5
