MassBank Record: KO000306

Home Search Record Index Data Privacy Imprint

(Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000306
RECORD_TITLE: (Aminomethyl)phosphonic 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 A235

CH$NAME: (Aminomethyl)phosphonate
CH$NAME: 1-Aminomethylphosphonic acid
CH$NAME: AMPA
CH$NAME: (Aminomethyl)phosphonic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH6NO3P
CH$EXACT_MASS: 111.00853
CH$SMILES: NCP(O)(O)=O
CH$IUPAC: InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
CH$LINK: CAS 1066-51-9
CH$LINK: KEGG C11033
CH$LINK: NIKKAJI J138.614J
CH$LINK: PUBCHEM SID:13216
CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5037490

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$FOCUSED_ION: PRECURSOR_M/Z 110
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03e9-9400000000-4d80ee3b726749319757
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  46.200 29703.0 3
  62.900 5742580.0 600
  79.000 4420796.5 462
  80.100 1792081.0 187
  81.100 6297036.0 658
  110.000 9559415.5 999
//