ACCESSION: UF015111
RECORD_TITLE: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine; APCI-ITFT; MS2; CE: 105; R=60000; [M]+;  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 151
CH$NAME: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine
CH$NAME: 2-Biphenylamine
CH$NAME: (2-phenylphenyl)amine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C12H11N
CH$EXACT_MASS: 169.08915
CH$SMILES: NC1=C(C=CC=C1)C1=CC=CC=C1
CH$IUPAC: InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
CH$LINK: CAS 90-41-5
CH$LINK: PUBCHEM CID:7015
CH$LINK: INCHIKEY TWBPWBPGNQWFSJ-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 6748
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$MASS_SPECTROMETRY: COLLISION_ENERGY 105 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.6 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 170.09651
MS$FOCUSED_ION: PRECURSOR_M/Z 169.0886
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  116.0619 2704.9 9
  127.0542 2009.1 7
  128.0494 2273 8
  128.062 11612.5 42
  130.0651 5585.5 20
  141.0698 82546.1 303
  142.0776 11496 42
  143.0729 13989.5 51
  145.0647 1312.4 4
  151.0542 5239.4 19
  152.0619 9796.6 35
  153.0572 2016.4 7
  153.0699 4724.3 17
  154.065 32345.2 118
  155.0603 7512.9 27
  166.065 2927.2 10
  167.0729 180281.5 662
  168.0806 272052 999
  169.0647 12281.6 45
  169.0884 100380.3 368
  179.0603 4604.6 16
