ACCESSION: MSBNK-Keio_Univ-KO008893
RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-IT; MS4; m/z: 307/247/144; [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: [MS3] KO008890

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: KEGG C01670
CH$LINK: PUBCHEM 4815
CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS4
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.80/0.45

MS$FOCUSED_ION: PRECURSOR_M/Z 307/247/144
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00dl-9500000000-d95e74df2b369d36fced
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  70.2 81.38 999
  80.6 2.18 27
  116.2 8.25 101
  144.1 40.69 500
//