MassBank Record: KO002399



 DAMGO; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002399
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A226

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$LINK: NIKKAJI J23.722A CH$LINK: PUBCHEM SID:13493 CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 514 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0w29-0041960000-c203a565d153598dd556 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 134.100 29703.0 31 135.900 39604.0 41 203.600 69307.0 72 219.300 54455.5 56 221.500 34653.5 36 257.300 64356.5 67 258.100 44554.5 46 280.600 148515.0 154 290.200 29703.0 31 363.100 39604.0 41 394.500 84158.5 87 425.500 34653.5 36 453.600 965347.5 999 514.700 698020.5 722 //