MassBank Record: MSBNK-Keio_Univ-KO000308

(Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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ACCESSION: MSBNK-Keio_Univ-KO000308
RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:40 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

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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

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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 40 V

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

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PK$SPLASH: splash10-01t9-9000000000-5fcd22e65f954d6bf989
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  62.900 4574262.0 581
  76.600 14851.5 2
  78.900 7871295.0 999
  80.000 326733.0 41
//