ACCESSION: MSBNK-Keio_Univ-KO002399
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:20 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 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
//