MassBank Record: KO000115



 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000115
RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03fr-9000000000-a4a9d5128c4eae06ecb7 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.000 44554.5 4 62.900 12693082.0 999 74.800 29703.0 2 78.900 6856442.5 540 80.000 2985151.5 235 81.100 1698021.5 134 107.300 49505.0 4 108.200 9901.0 1 124.100 272277.5 21 //