ACCESSION: UF022012
RECORD_TITLE: 1-Naphthylamine; APCI-ITFT; MS2; CE: 120; 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 220
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$MASS_SPECTROMETRY: COLLISION_ENERGY 120 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 1.9 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 144.08041
MS$FOCUSED_ION: PRECURSOR_M/Z 144.08078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  75.023 2371.2 1
  77.0386 237140.3 133
  81.0336 2201 1
  89.0386 6141.1 3
  91.0543 193439.2 109
  95.0492 150425.8 84
  101.0386 10082.7 5
  102.0465 4427 2
  103.0543 189310.2 106
  104.0496 5367.5 3
  105.0447 95262 53
  115.0543 806066 454
  116.0495 17451.1 9
  116.062 274430 154
  117.0573 22604.2 12
  117.0699 397244 223
  118.0652 2861.8 1
  119.0491 17814.8 10
  125.0386 7234.1 4
  126.0465 261516.9 147
  127.0542 1487220.8 838
  128.062 230254.5 129
  129.0447 117060 65
  142.0652 32406.6 18
  143.073 1772773.6 999
  144.0807 433384.5 244
  146.0601 2830 1
