ACCESSION: MSBNK-Keio_Univ-KO002401
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:40 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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 514
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001r-0960000000-3702c6050670ba34c26b
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  131.800 39604.0 54
  134.200 727723.5 999
  136.100 321782.5 442
  191.100 94059.5 129
  207.400 74257.5 102
  219.600 287129.0 394
  223.000 44554.5 61
  235.300 217822.0 299
  290.200 84158.5 116
  292.200 143564.5 197
//