MassBank Record: KO000116



 1-Aminoethylphosphonic acid; 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: KO000116
RECORD_TITLE: 1-Aminoethylphosphonic acid; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01t9-9000000000-0e6410998d00b1dc6808 PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 63.000 8717830.5 944 74.800 49505.0 5 78.800 9222781.5 999 80.100 950496.0 103 80.900 103960.5 11 107.000 34653.5 4 //