ACCESSION: UF024911
RECORD_TITLE: 2-Aminoanthracene; 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 249
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 1.2 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 194.09665
MS$FOCUSED_ION: PRECURSOR_M/Z 194.09643
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  128.062 17156.4 41
  141.0699 3042.4 7
  151.0542 52519.5 126
  152.062 42655.6 103
  153.0699 21598.4 52
  155.0604 4015.9 9
  165.0699 85904.1 207
  166.0777 38904.9 94
  167.0729 3201.1 7
  167.0855 20539.8 49
  169.0648 100764.1 243
  176.062 413391 999
  177.0698 222100.2 536
  178.0776 135033.2 326
  179.0602 50040.2 120
  181.0647 36346.1 87
  192.0806 25561.8 61
  193.0884 376849.4 910
  194.0962 13007.9 31
  203.0597 1419.2 3
