ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM SID:6533
CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N
CH$LINK: COMPTOX DTXSID10976121

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
//