ACCESSION: MSBNK-Keio_Univ-KO002400
RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:30 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 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
//