MassBank Record: KO002298

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2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002298
RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A131

CH$NAME: 2-Amino-3-phosphonopropionate
CH$NAME: Phosphonoalanine
CH$NAME: 2-Amino-3-phosphonopropanoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8NO5P
CH$EXACT_MASS: 169.014010000000013178578228689730167388916015625
CH$SMILES: NC(C(O)=O)CP(O)(O)=O
CH$IUPAC: InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
CH$LINK: COMPTOX DTXSID40863590
CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N
CH$LINK: KEGG C05672
CH$LINK: PUBCHEM SID:7979

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$FOCUSED_ION: PRECURSOR_M/Z 170
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0fk9-0900000000-7849997de5f05d38e107
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  70.900 44554.5 3
  78.300 400990.5 23
  90.700 64356.5 4
  94.000 24752.5 1
  95.100 89109.0 5
  97.700 29703.0 2
  105.400 24752.5 1
  106.000 89109.0 5
  107.200 89109.0 5
  108.400 29703.0 2
  110.300 44554.5 3
  111.000 9901.0 1
  113.900 19802.0 1
  124.000 3099013.0 177
  135.100 336634.0 19
  138.100 490099.5 28
  152.200 15534669.0 890
  153.100 2589111.5 148
  170.100 17445562.0 999
//