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MassBank Record: KO003882

Phosphoarginine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO003882
RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-00di-9000000000-989a709ae956fcb639e3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  60.100 74257.5 12
  70.200 6034659.5 999
  72.300 44554.5 7
  77.700 24752.5 4
  79.300 19802.0 3
  85.200 54455.5 9
  95.100 425743.0 70
  112.300 212871.5 35
  115.900 49505.0 8
  116.400 29703.0 5
  123.200 193069.5 32
  123.800 34653.5 6
  156.300 34653.5 6
//

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