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MassBank Record: MSBNK-Keio_Univ-KO002913

4-Fluoroaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Keio_Univ-KO002913
RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F048

CH$NAME: 4-Fluoroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6FN
CH$EXACT_MASS: 111.04843
CH$SMILES: Nc(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
CH$LINK: CAS 371-40-4
CH$LINK: KEGG C11014
CH$LINK: NIKKAJI J33.843E
CH$LINK: PUBCHEM SID:13197
CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022027

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-01c0-5980000000-12eb52756a3cd067b23a
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  74.200 29703.0 599
  116.700 49505.0 999
  234.300 44554.5 899
//

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