MassBank Record: KO002400

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DAMGO; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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: COMPTOX DTXSID30228775
CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N
CH$LINK: KEGG C11318
CH$LINK: NIKKAJI J23.722A
CH$LINK: PUBCHEM SID:13493

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.
  132.1 44554.5 91.0
  134.2 480198.0 979.0
  136.1 480198.0 979.0
  191.6 79208.0 161.0
  203.1 44554.5 91.0
  207.1 34653.5 71.0
  219.2 490100.0 999.0
  223.4 138614.0 283.0
  226.0 9901.0 20.0
  235.0 59406.0 121.0
  280.4 49505.0 101.0
  290.3 168317.0 343.0
  292.5 89109.0 182.0
  297.4 59406.0 121.0
  325.3 19802.0 40.0
  367.5 24752.5 50.0
  382.7 34653.5 71.0
  394.5 24752.5 50.0
  425.4 9901.0 20.0
  453.4 306931.0 626.0
  496.2 19802.0 40.0
//