ACCESSION: UF024913
RECORD_TITLE: 2-Aminoanthracene; APCI-ITFT; MS2; CE: 150; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  75.0229 1486.6 2
  77.0387 4532.6 8
  91.0543 1100 1
  95.0492 4926.7 8
  99.023 1832.3 3
  102.0464 4157.7 7
  105.0446 1747.4 3
  115.0542 16712.5 30
  125.0386 6555.4 11
  126.0464 9237.6 16
  127.0542 17631.8 31
  128.062 22854.4 41
  129.0446 3246.2 5
  139.0542 11757.9 21
  140.0495 1272.6 2
  140.0621 2246 4
  141.0699 11694.3 21
  143.0491 1865.8 3
  145.0648 6996.6 12
  149.0386 1417.5 2
  150.0464 148986.5 269
  151.0542 101477.2 183
  152.062 82862.2 150
  153.0698 3770.5 6
  155.0604 38103.1 69
  163.0543 3073.5 5
  164.062 6522.3 11
  165.0698 406519.8 736
  166.0651 4006 7
  166.0776 17752.6 32
  167.0728 4493.3 8
  168.0569 4661.3 8
  169.0647 164659.7 298
  174.0464 7629.5 13
  175.0542 14873.4 26
  176.0619 551471.5 999
  177.0572 3084.6 5
  177.0697 29018.5 52
  178.0776 54611.3 98
  179.0602 84684.2 153
  190.065 6527.7 11
  191.0728 20899.1 37
  192.0806 20809.4 37
  193.0646 13891.5 25
  193.0884 50844.7 92
  203.0601 12197.2 22
