MassBank Record: KO000114



 1-Aminoethylphosphonic 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: KO000114
RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:20 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 A057

CH$NAME: 1-Aminoethylphosphonate CH$NAME: D-(1-Aminoethyl)phosphonic acid CH$NAME: D-(1-Aminoethyl)phosphonate CH$NAME: 1-Aminoethylphosphonic acid CH$COMPOUND_CLASS: Non-Natural Product CH$FORMULA: C2H8NO3P CH$EXACT_MASS: 125.02418 CH$SMILES: CC(N)P(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c1-2(3)7(4,5)6/h2H,3H2,1H3,(H2,4,5,6)/t2-/m1/s1 CH$LINK: CAS 6323-97-3 CH$LINK: KEGG C03782 CH$LINK: NIKKAJI J81.190D CH$LINK: PUBCHEM SID:6533
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01x0-9400000000-552baf6cd911232d4936 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.100 108911.0 8 60.100 103960.5 8 63.200 8534662.0 629 78.900 1950497.0 144 80.000 2148517.0 158 81.100 12990112.0 957 95.200 34653.5 3 107.100 39604.0 3 123.600 767327.5 57 124.100 13554469.0 999 //