MassBank Record: MSBNK-Keio_Univ-KO002400
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
//