ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N
CH$LINK: COMPTOX DTXSID30228775

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
//