ACCESSION: UF024511
RECORD_TITLE: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine; APCI-ITFT; MS2; CE: 105; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 105 (nominal)
AC$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$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  65.0386 16347.6 36
  77.0386 2240.4 5
  91.0543 2456 5
  92.0495 28799.7 64
  93.0573 80829.8 181
  103.0543 3652.4 8
  104.0495 2032.4 4
  110.0601 6943.4 15
  115.0543 8115.7 18
  127.0542 6698.6 15
  128.0621 54425.7 122
  129.07 2327.7 5
  130.0651 1978 4
  141.0698 5312.1 11
  142.0777 1596.9 3
  143.073 6650.2 14
  143.0856 4830.8 10
  145.0648 7973.4 17
  151.0543 12717.8 28
  152.0621 444944.7 999
  153.0699 121296.5 272
  154.0651 13009.4 29
  154.0777 7290.2 16
  155.0603 41528.1 93
  155.073 6170.4 13
  167.073 3472.2 7
  168.0808 29649 66
  169.0648 27962.6 62
  169.0886 72915.9 163
  170.0964 34551.9 77
  179.0603 18965.8 42
