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MassBank Record: KO002248

Arginine ethyl ester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002248
RECORD_TITLE: Arginine ethyl ester; 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 A103

CH$NAME: Arginine ethyl ester
CH$NAME: L-arginine ethyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18N4O2
CH$EXACT_MASS: 202.14298
CH$SMILES: CCOC(=O)C(N)CCCNC(N)=N
CH$IUPAC: InChI=1S/C8H18N4O2/c1-2-14-7(13)6(9)4-3-5-12-8(10)11/h6H,2-5,9H2,1H3,(H4,10,11,12)
CH$LINK: NIKKAJI J313.918B
CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0090000000-d6c7e888d088b54b20f6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  63.100 188119.0 5
  69.000 1297031.0 33
  72.800 108911.0 3
  76.900 89109.0 2
  80.900 49505.0 1
  83.100 1811883.0 45
  91.400 168317.0 4
  96.700 14851.5 1
  106.700 39604.0 1
  113.100 74257.5 2
  114.100 44554.5 1
  120.900 534654.0 13
  126.200 212871.5 5
  139.300 113861.5 3
  141.900 59406.0 1
  143.100 1014852.5 25
  144.100 252475.5 6
  145.300 386139.0 10
  148.800 19802.0 1
  156.900 74257.5 2
  159.200 64356.5 2
  171.000 504951.0 13
  185.400 123762.5 3
  186.200 846535.5 21
  203.300 39782218.0 999
  247.500 163366.5 4
//

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