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MassBank Record: KO003878

Phosphoarginine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003878
RECORD_TITLE: Phosphoarginine; 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 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 10 V

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

PK$SPLASH: splash10-0a4i-0090000000-f281f3063f4f4abc1206
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  76.900 29703.0 1
  83.800 34653.5 1
  104.900 24752.5 1
  112.000 39604.0 1
  121.300 29703.0 1
  125.700 9901.0 1
  128.800 138614.0 4
  163.000 74257.5 2
  164.900 89109.0 3
  168.300 29703.0 1
  172.400 108911.0 3
  173.100 237624.0 7
  175.200 420792.5 13
  177.200 69307.0 2
  183.400 19802.0 1
  187.300 59406.0 2
  192.400 262376.5 8
  195.400 79208.0 2
  202.400 34653.5 1
  205.200 34653.5 1
  209.100 222772.5 7
  219.400 792080.0 24
  220.200 64356.5 2
  223.400 64356.5 2
  237.000 89109.0 3
  238.300 801981.0 25
  255.300 32460428.5 999
//

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