MassBank Record: KO002912



 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002912
RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:40 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kb-9000000000-15236a4924cb059b2705 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 67.000 74257.5 652 74.900 24752.5 217 95.000 113861.5 999 //