ACCESSION: UF016311
RECORD_TITLE: 2-Aminoanthracene; 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 163
CH$NAME: 2-Aminoanthracene
CH$NAME: 2-Anthramine
CH$NAME: 2-anthracenamine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C14H11N
CH$EXACT_MASS: 193.08915
CH$SMILES: NC1=CC2=CC3=CC=CC=C3C=C2C=C1
CH$IUPAC: InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
CH$LINK: CAS 613-13-8
CH$LINK: CHEBI 34260
CH$LINK: KEGG C14417
CH$LINK: PUBCHEM CID:11937
CH$LINK: INCHIKEY YCSBALJAGZKWFF-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 11443
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$FOCUSED_ION: BASE_PEAK 194.09665
MS$FOCUSED_ION: PRECURSOR_M/Z 193.0886
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  128.0621 1985.2 3
  139.0543 4754.9 8
  140.0622 3078.9 5
  141.0699 16413.6 29
  152.0621 19598.8 35
  153.0699 13502.9 24
  164.0621 3547.1 6
  165.0699 556854.8 999
  166.0652 7517.2 13
  166.0777 67339.6 120
  167.073 9085.9 16
  168.0572 1811.3 3
  169.0528 1416.5 2
  169.0648 2400 4
  176.0621 70166.6 125
  177.0574 3568.7 6
  178.0651 14289.6 25
  178.0778 3102.5 5
  179.0605 2330.6 4
  190.0651 5017.7 9
  191.073 45543.8 81
  192.0808 93196.9 167
  193.0886 183292.8 328
