MassBank Record: KO008837



 DAMGO; LC-ESI-IT; MS3; m/z: 514/453; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008837
RECORD_TITLE: DAMGO; LC-ESI-IT; MS3; m/z: 514/453; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A226
COMMENT: [MS2] KO008836

CH$NAME: DAMGO CH$NAME: (D-Ala(2)-mephe(4)-gly-ol(5))enkephalin CH$NAME: Tyr-D-Ala-Gly-MePhe-Gly-ol CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H35N5O6 CH$EXACT_MASS: 513.25873 CH$SMILES: N(C(Cc(c2)cccc2)C(=O)NCCO)(C)C(=O)CNC(=O)C(C)NC(=O)C(N)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 CH$LINK: CAS 78123-71-4 CH$LINK: KEGG C11318 CH$LINK: PUBCHEM 13493 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N
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$MASS_SPECTROMETRY: COLLISION_ENERGY 0.75/0.65
MS$FOCUSED_ION: PRECURSOR_M/Z 514/453 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-001m-0897200000-670d2aedb4e7bd36dfa8 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 133.0 2.25 2 134.1 964.10 999 135.2 0.83 1 136.1 124.30 129 144.1 1.83 2 146.1 12.08 13 147.9 2.42 3 158.2 7.00 7 175.1 2.17 2 176.1 14.92 15 181.1 3.33 3 189.1 17.57 18 191.1 85.89 89 207.1 24.16 25 217.0 15.75 16 218.2 5.00 5 219.1 156.12 162 231.1 1.08 1 235.1 14.75 15 245.1 44.15 46 255.3 14.41 15 258.1 37.49 39 272.2 1.75 2 273.0 7.75 8 273.9 2.00 2 281.1 1.67 2 286.2 4.17 4 289.5 5.41 6 290.2 581.12 602 292.2 18.91 20 297.2 393.73 408 297.8 2.08 2 300.2 8.58 9 302.1 5.92 6 318.2 24.49 25 323.2 0.83 1 324.3 12.83 13 325.2 225.34 233 336.4 29.49 31 337.2 14.91 15 363.4 9.08 9 364.1 251.26 260 372.1 5.83 6 382.0 58.15 60 391.1 5.00 5 395.3 10.58 11 396.1 512.39 531 404.0 12.16 13 408.1 39.73 41 421.9 5.75 6 424.2 31.24 32 425.0 172.97 179 435.0 34.08 35 452.2 4.83 5 453.1 17.66 18 523.8 7.08 7 526.1 5.91 6 //