MassBank Record: KO002398



 DAMGO; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002398
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:10 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 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 514 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0010090000-f82d6618911401eb6163 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 131.500 34653.5 12 203.000 49505.0 18 204.300 19802.0 7 257.300 64356.5 23 280.400 64356.5 23 298.400 138614.0 50 338.100 39604.0 14 353.300 49505.0 18 363.100 108911.0 39 394.000 34653.5 12 398.500 19802.0 7 452.400 14851.5 5 453.400 69307.0 25 478.500 44554.5 16 514.700 2782181.0 999 //