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MassBank Record: KO003880

Phosphoarginine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003880
RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00di-5900000000-f8212005e2de8a24d7f7
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  57.900 14851.5 3
  60.100 49505.0 11
  70.000 4430697.5 999
  71.700 44554.5 10
  76.400 44554.5 10
  84.500 44554.5 10
  85.400 64356.5 15
  87.300 19802.0 4
  89.000 14851.5 3
  92.800 9901.0 2
  95.000 227723.0 51
  96.900 118812.0 27
  98.400 54455.5 12
  104.900 59406.0 13
  112.100 1178219.0 266
  113.300 69307.0 16
  115.100 277228.0 63
  116.100 2351487.5 530
  118.800 24752.5 6
  123.200 876238.5 198
  130.400 212871.5 48
  132.900 34653.5 8
  134.600 14851.5 3
  139.900 485149.0 109
  141.100 39604.0 9
  158.300 891090.0 201
  173.200 64356.5 15
  175.200 1400991.5 316
  182.000 54455.5 12
  192.400 891090.0 201
  220.200 29703.0 7
  238.200 292079.5 66
//

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