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MassBank Record: KO003879

Phosphoarginine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO003879
RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-056u-0950000000-089a6a5cd739db6de8e8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  70.000 356436.0 70
  77.000 59406.0 12
  78.600 19802.0 4
  85.300 24752.5 5
  87.100 24752.5 5
  89.400 39604.0 8
  96.800 54455.5 11
  97.400 24752.5 5
  105.000 153465.5 30
  112.300 1455447.0 287
  115.200 450495.5 89
  116.100 1173268.5 231
  120.800 29703.0 6
  123.200 202970.5 40
  124.300 44554.5 9
  128.900 460396.5 91
  130.500 34653.5 7
  133.400 89109.0 18
  140.000 851486.0 168
  156.900 59406.0 12
  158.000 287129.0 57
  172.300 39604.0 8
  173.100 103960.5 20
  175.000 5069312.0 999
  179.400 29703.0 6
  192.400 2460398.5 485
  195.300 29703.0 6
  196.400 34653.5 7
  202.400 108911.0 21
  209.400 69307.0 14
  219.200 247525.0 49
  220.200 108911.0 21
  237.400 158416.0 31
  238.000 2029705.0 400
  255.300 4891094.0 964
//

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