MassBank Record: KO002400



 DAMGO; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002400
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 514 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fsc-0890200000-37e55c147bd7125b1382 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 132.100 44554.5 91 134.200 480198.5 979 136.100 480198.5 979 191.600 79208.0 161 203.100 44554.5 91 207.100 34653.5 71 219.200 490099.5 999 223.400 138614.0 283 226.000 9901.0 20 235.000 59406.0 121 280.400 49505.0 101 290.300 168317.0 343 292.500 89109.0 182 297.400 59406.0 121 325.300 19802.0 40 367.500 24752.5 50 382.700 34653.5 71 394.500 24752.5 50 425.400 9901.0 20 453.400 306931.0 626 496.200 19802.0 40 //