ACCESSION: MSBNK-Keio_Univ-KO002403
RECORD_TITLE: (Aminomethyl)phosphonic 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 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 112
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-4900000000-19dd438dc164a1542e25
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  48.400 49505.0 13
  76.200 480198.5 123
  77.800 69307.0 18
  79.800 1193070.5 307
  94.200 49505.0 13
  95.300 24752.5 6
  112.100 3886142.5 999
//