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MassBank Record: KO002250

Arginine ethyl ester; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002250
RECORD_TITLE: Arginine ethyl ester; 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 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 30 V

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

PK$SPLASH: splash10-00di-9100000000-c27881b94ce11c364dd7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  44.000 19802.0 1
  55.000 14851.5 1
  60.200 1653467.0 120
  62.900 69307.0 5
  70.000 13787142.5 999
  71.900 49505.0 4
  73.100 24752.5 2
  74.100 49505.0 4
  77.100 74257.5 5
  81.100 54455.5 4
  85.500 29703.0 2
  91.000 212871.5 15
  95.100 84158.5 6
  97.000 99010.0 7
  98.100 391089.5 28
  99.200 178218.0 13
  101.100 14851.5 1
  107.300 49505.0 4
  109.200 24752.5 2
  112.200 693070.0 50
  115.200 24752.5 2
  116.100 316832.0 23
  117.000 19802.0 1
  122.500 19802.0 1
  125.600 227723.0 17
  129.900 14851.5 1
  142.900 178218.0 13
  144.000 960397.0 70
  157.100 39604.0 3
  158.200 396040.0 29
  169.300 44554.5 3
  185.900 69307.0 5
  203.300 39604.0 3
//

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