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MassBank Record: KO003881

Phosphoarginine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003881
RECORD_TITLE: Phosphoarginine; 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 P105

CH$NAME: Phosphoarginine
CH$NAME: N(omega)-Phospho-L-arginine
CH$NAME: Phosphoarginine A
CH$NAME: Arginine phosphate
CH$NAME: N5-[Imino(phosphonoamino)methyl]L-ornithine
CH$NAME: L-Arginine-NG-phosphoric acid
CH$NAME: N-Phospho-L-arginine
CH$NAME: L-Arginine phosphate
CH$NAME: omega-N-Phosphoarginine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15N4O5P
CH$EXACT_MASS: 254.07801
CH$SMILES: OC(=O)[C@@H](N)CCCNC(=N)NP(O)(O)=O
CH$IUPAC: InChI=1S/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)/t4-/m0/s1
CH$LINK: CAS 1189-11-3
CH$LINK: CHEBI 18412
CH$LINK: KEGG C05945
CH$LINK: NIKKAJI J20.415C
CH$LINK: PUBCHEM SID:8229
CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID10922805

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 255
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9200000000-7b0ee2f23c1904684ecc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57.200 29703.0 4
  60.200 84158.5 11
  70.200 7415849.0 999
  71.300 44554.5 6
  72.200 34653.5 5
  73.700 24752.5 3
  81.200 19802.0 3
  82.100 14851.5 2
  84.300 44554.5 6
  85.400 49505.0 7
  95.200 613862.0 83
  97.100 108911.0 15
  98.300 49505.0 7
  112.300 975248.5 131
  116.200 797030.5 107
  117.500 19802.0 3
  122.700 29703.0 4
  123.300 524753.0 71
  124.200 84158.5 11
  129.800 108911.0 15
  141.500 19802.0 3
  155.600 24752.5 3
  157.900 54455.5 7
  175.000 143564.5 19
//

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