MassBank Record: KO008892

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Na-Benzenolarginine ethylester; LC-ESI-IT; MS3; m/z: 307/142; [M+H]+

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

ACCESSION: KO008892
RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-IT; MS3; m/z: 307/142; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B026
COMMENT: [MS2] KO008889

CH$NAME: Na-Benzenolarginine ethylester
CH$NAME: Bz-Arg-OEt
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22N4O3
CH$EXACT_MASS: 306.16919
CH$SMILES: CCOC(=O)C(CCCNC(N)=N)NC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)
CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N
CH$LINK: KEGG C01670
CH$LINK: PUBCHEM 4815

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE: MS3
AC$MASS_SPECTROMETRY: ION_MODE: POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.00/0.45

MS$FOCUSED_ION: PRECURSOR_M/Z 307/142
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03k9-9700000000-9ba31412096fac90bf16
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  56.2 11.300000190734863 18.0
  70.2 558.9600219726562 877.0
  71.2 1.309999942779541 2.0
  98.1 292.760009765625 459.0
  99.2 6.230000019073486 10.0
  114.1 636.6300048828125 999.0
  124.0 7.690000057220459 12.0
  142.1 34.970001220703125 55.0
  187.2 1.0800000429153442 2.0
//