MassBank Record: KO000113

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1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000113
RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:10 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$LINK: COMPTOX DTXSID10976121
CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N
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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 124
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0900000000-9b75d722a92a3c445e48
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  58.8 103960.0 1.0
  59.8 163366.0 2.0
  62.6 24752.5 1.0
  63.2 153466.0 2.0
  79.0 44554.5 1.0
  79.2 24752.5 1.0
  80.9 1000000.0 12.0
  90.9 19802.0 1.0
  93.5 34653.5 1.0
  123.2 79208.0 1.0
  124.0 8.4208E7 999.0
//