ACCESSION: UF014314
RECORD_TITLE: 1-Naphthylamine; APCI-ITFT; MS2; CE: 180; 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 143
CH$NAME: 1-Naphthylamine
CH$NAME: 1-Aminonaphthalene
CH$NAME: 1-naphthalenamine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C10H9N
CH$EXACT_MASS: 143.07350
CH$SMILES: NC1=CC=CC2=CC=CC=C12
CH$IUPAC: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
CH$LINK: CAS 25168-10-9
CH$LINK: CHEBI 50450
CH$LINK: KEGG C14790
CH$LINK: PUBCHEM CID:8640
CH$LINK: INCHIKEY RUFPHBVGCFYCNW-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 8319
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$MASS_SPECTROMETRY: COLLISION_ENERGY 180 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.1 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 144.08049
MS$FOCUSED_ION: PRECURSOR_M/Z 143.07295
MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  116.0493 22525.3 999
  116.0619 13595.5 602
  117.0571 3374.8 149
  126.0462 20368 903
  127.0544 1106.2 49
  128.0492 1514.9 67
  129.0445 3119.3 138
  140.0493 12194.1 540
  141.0572 6396.6 283
  142.065 6046.2 268
  143.0729 1895.8 84
