ACCESSION: UF016313
RECORD_TITLE: 2-Aminoanthracene; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$FOCUSED_ION: BASE_PEAK 194.09665
MS$FOCUSED_ION: PRECURSOR_M/Z 193.0886
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  115.0542 46024.1 97
  126.0464 5250.9 11
  128.0621 4155.3 8
  139.0542 43528.9 92
  140.0495 4719.4 10
  140.0621 3570.7 7
  141.0699 5145.5 10
  150.0464 23974 50
  151.0543 3278.8 6
  152.0621 24275.4 51
  153.0571 1205.9 2
  155.0606 3173.9 6
  163.0543 23431.8 49
  164.0621 45385.3 96
  165.0699 471375.3 999
  166.0652 4919.8 10
  166.0776 1346.9 2
  167.0729 1585.4 3
  168.057 17956.8 38
  169.0649 7177 15
  174.0465 2404.3 5
  175.0541 2374.1 5
  176.0621 36841.5 78
  177.0574 8599.2 18
  179.0604 4161.4 8
  190.0652 25048.2 53
  191.073 25702.1 54
  192.0807 3856.2 8
  193.0648 2661.4 5
  193.0885 1692.5 3
