MassBank Record: KO002252

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Arginine ethyl ester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002252
RECORD_TITLE: Arginine ethyl ester; 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 A103

CH$NAME: Arginine ethyl ester
CH$NAME: L-arginine ethyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18N4O2
CH$EXACT_MASS: 202.142979999999994333848007954657077789306640625
CH$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: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N
CH$LINK: NIKKAJI J313.918B

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

PK$SPLASH: splash10-00di-9000000000-e7b24c1bcb6ad83502b8
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.200 84158.5 10
  55.300 29703.0 4
  58.300 19802.0 2
  60.100 301980.5 37
  68.000 108911.0 13
  69.300 74257.5 9
  70.000 8158424.0 999
  73.900 44554.5 5
  77.700 24752.5 3
  98.000 49505.0 6
//