ACCESSION: UF022013
RECORD_TITLE: 1-Naphthylamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150 (nominal)
AC$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$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  65.0385 6471.1 5
  75.0229 99157.9 79
  77.0386 689357.6 551
  78.0464 10762.6 8
  81.0335 6127.4 4
  87.0231 3778.9 3
  89.0386 50906.2 40
  90.0464 8354.1 6
  91.0542 321970.8 257
  95.0491 440367.5 352
  99.0229 5579.5 4
  101.0386 52879 42
  102.0464 24362 19
  103.0542 79781.2 63
  104.0495 7649.3 6
  105.0447 306212.4 244
  115.0542 1248914.2 999
  116.062 423240.7 338
  117.0572 39063.9 31
  117.0698 102278.5 81
  119.0491 66824.8 53
  125.0386 18816.1 15
  126.0464 683813.7 546
  127.0542 988947.4 791
  128.062 223385.8 178
  129.0446 365888.8 292
  140.0495 2958 2
  141.0574 2839.5 2
  142.0651 101790.6 81
  143.0729 936274.1 748
  144.0807 37468.9 29
  146.0599 4759.8 3
  153.0447 3610.9 2
