MassBank Record: KO002346



 Aniline; 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: KO002346
RECORD_TITLE: Aniline; 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 A162

CH$NAME: Aniline(2) CH$NAME: Benzenamine CH$NAME: Phenylamine CH$NAME: Arylamine CH$NAME: Aniline CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H7N CH$EXACT_MASS: 93.05785 CH$SMILES: Nc(c1)cccc1 CH$IUPAC: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2 CH$LINK: CAS 62-53-3 CH$LINK: CHEBI 17296 CH$LINK: CHEMPDB ANL CH$LINK: KEGG C00292 CH$LINK: NIKKAJI J2.349C CH$LINK: PUBCHEM SID:3586
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 94 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0007-9000000000-971619ea8bd73637ba14 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 44.200 321782.5 999 45.000 183168.5 569 51.300 64356.5 200 61.200 24752.5 77 65.100 19802.0 61 77.100 143564.5 446 92.700 14851.5 46 //