ACCESSION: UF024514
RECORD_TITLE: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine; APCI-ITFT; MS2; CE: 180; R=60000; [M+H]+;  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 245
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$MASS_SPECTROMETRY: COLLISION_ENERGY 180 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.2 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 170.0965
MS$FOCUSED_ION: PRECURSOR_M/Z 170.09643
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  65.0386 11175.1 75
  66.0464 8075.2 54
  75.023 5887.7 39
  77.0386 21746.9 146
  78.0465 4013 26
  91.0543 4504.8 30
  92.0495 2962.5 19
  93.0573 18932.2 127
  95.0492 17046.3 114
  102.0464 22466.3 151
  103.0542 1979.4 13
  105.0447 11253.7 75
  115.0542 19407.1 130
  126.0464 61903 416
  127.0542 15132.7 101
  128.062 14906.8 100
  129.0447 10256.4 68
  139.0542 2521 16
  141.0699 7057.7 47
  145.0649 3602.7 24
  150.0464 38803.6 260
  151.0542 26408.4 177
  152.062 148525 999
  154.0651 2508.1 16
  155.0604 19082.3 128
  167.073 20945.1 140
  168.0806 2787.5 18
  169.0648 54302.8 365
  179.0603 24401.7 164
