MassBank Record: KO002404



 (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002404
RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A235

CH$NAME: (Aminomethyl)phosphonate CH$NAME: 1-Aminomethylphosphonic acid CH$NAME: AMPA CH$NAME: (Aminomethyl)phosphonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: CH6NO3P CH$EXACT_MASS: 111.00853 CH$SMILES: NCP(O)(O)=O CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) CH$LINK: CAS 1066-51-9 CH$LINK: KEGG C11033 CH$LINK: NIKKAJI J138.614J CH$LINK: PUBCHEM SID:13216 CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-51fd8a2721e1b9fc3548 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 30.000 34653.5 80 80.100 430693.5 999 83.100 49505.0 115 112.300 49505.0 115 260.400 34653.5 80 //