ACCESSION: UF029013
RECORD_TITLE: N-Phenyl-2-naphthylamine; APCI-ITFT; MS2; CE: 150; 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 150 (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: 33
PK$PEAK: m/z int. rel.int.
  65.0385 5557.8 23
  66.0463 3872.1 16
  77.0386 3308.5 14
  89.0387 2648.7 11
  91.0542 1800.3 7
  93.0573 23960.5 102
  95.0492 1343.2 5
  102.0464 4223.2 17
  104.0493 1121.5 4
  105.0448 3154.8 13
  115.0542 234590.1 999
  116.062 85928.8 365
  117.0573 5311.3 22
  126.0464 17315.4 73
  127.0542 4798.9 20
  128.062 22405.9 95
  129.0447 2028.4 8
  142.0651 14992.1 63
  143.0729 83201.5 354
  145.0648 1273.5 5
  152.0621 1871.9 7
  155.0604 7344 31
  165.07 2093.1 8
  176.0622 2052.1 8
  177.0698 1431.4 6
  178.0779 1732 7
  191.0854 1300.4 5
  200.0621 4649.1 19
  201.0699 2909.4 12
  202.0777 11121 47
  204.0809 1533.6 6
  216.0807 3210.3 13
  217.0887 4987.9 21
