ACCESSION: UF024509
RECORD_TITLE: 2-BIPHENYLAMINE (SEE ALSO,  2-Biphenylamine; APCI-ITFT; MS2; CE: 75; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 75 (nominal)
AC$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$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  65.0386 4285.8 9
  92.0495 27524.5 58
  93.0573 45134.7 95
  103.0542 1496.6 3
  104.0494 1479.7 3
  110.0601 16132.6 34
  115.0542 4800.8 10
  128.0621 40290.7 85
  129.0699 7539.6 15
  141.0699 3782.4 7
  143.0731 2906.8 6
  143.0856 37509.9 79
  151.0544 3321.2 7
  152.0621 147617.5 311
  153.0699 323596 682
  154.0652 6110.9 12
  154.0777 7167.1 15
  155.0604 5446.8 11
  155.073 18965.4 40
  168.0808 9234.9 19
  169.0649 7298.5 15
  169.0886 76954.1 162
  170.0964 473386.2 999
  179.0603 4445.4 9
  181.076 7225 15
