ACCESSION: UF022014
RECORD_TITLE: 1-Naphthylamine; APCI-ITFT; MS2; CE: 180; 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$MASS_SPECTROMETRY: COLLISION_ENERGY 180 (nominal)
AC$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 42729.6 30
  75.0229 280852 202
  77.0385 676014.1 487
  78.0464 20260.2 14
  81.0335 4080.9 2
  87.0229 23024.3 16
  89.0386 133680.2 96
  90.0464 18384.8 13
  91.0542 222969.9 160
  95.0491 406907.4 293
  99.0229 22430.5 16
  101.0385 61381.5 44
  102.0463 75681.6 54
  103.0542 26958.9 19
  104.0494 9329.9 6
  105.0447 269749.7 194
  115.0542 1384542.8 999
  116.0494 26496.2 19
  116.0619 222869.9 160
  117.0572 32390.8 23
  117.0697 7911.5 5
  119.049 46914.6 33
  125.0385 13170.8 9
  126.0463 616091.8 444
  127.0541 289215.5 208
  128.0619 120631.6 87
  129.0446 282188.1 203
  134.0601 1902 1
  140.0494 11184.1 8
  141.0573 4882.1 3
  142.065 62037.1 44
  143.0728 239570.2 172
  153.0447 3529.7 2
