ACCESSION: UF015113
RECORD_TITLE: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine; APCI-ITFT; MS2; CE: 150; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  116.0619 2852.9 16
  117.0572 2943.7 17
  126.0464 6211.9 36
  127.0542 7142 41
  128.0494 7388.7 43
  128.062 7182.9 41
  129.0447 3596.8 20
  130.0651 6112.2 35
  139.0542 18205.7 106
  140.0495 5738.2 33
  140.062 13835 80
  141.0698 54753.8 319
  143.0729 3290.4 19
  145.0648 3007.5 17
  150.0463 5539.4 32
  151.0542 8090.4 47
  152.062 14031.7 81
  153.0573 6711.7 39
  154.0651 5404.6 31
  155.0603 15012.7 87
  166.0651 48959 285
  167.0729 171161.3 999
  168.0807 19662.8 114
  169.0647 12465 72
  179.0603 7523.4 43
