ACCESSION: UF014313
RECORD_TITLE: 1-Naphthylamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  116.0493 32279 370
  116.0618 87008.4 999
  117.0571 12982.8 149
  126.0462 36381.4 417
  127.0539 1621.8 18
  128.0492 5412.6 62
  128.0619 2703.3 31
  129.0446 4001.6 45
  134.0599 1400 16
  140.0492 14765.1 169
  141.0571 7879.3 90
  142.0649 32044.2 367
  143.0727 39948.4 458
