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MassBank Record: KO002251

Arginine ethyl ester; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002251
RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-00di-9000000000-0149a58ef85aba210880
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  55.100 64356.5 5
  60.300 1044555.5 78
  62.900 49505.0 4
  67.800 49505.0 4
  68.800 123762.5 9
  70.000 13405954.0 999
  71.200 49505.0 4
  72.800 64356.5 5
  81.200 39604.0 3
  83.800 29703.0 2
  84.600 29703.0 2
  87.300 29703.0 2
  91.000 89109.0 7
  95.000 74257.5 6
  97.200 54455.5 4
  97.800 222772.5 17
  99.000 143564.5 11
  100.000 9901.0 1
  111.900 202970.5 15
  113.800 24752.5 2
  115.900 29703.0 2
  143.400 74257.5 6
  157.300 34653.5 3
  174.500 34653.5 3
  202.900 14851.5 1
//

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