MassBank Record: KO003052



 TRH; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003052
RECORD_TITLE: TRH; 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 G117

CH$NAME: TRH CH$NAME: Protirelin CH$NAME: Thyrotropin releasing hormone CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H22N6O4 CH$EXACT_MASS: 362.17025 CH$SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N CH$IUPAC: InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 CH$LINK: CAS 24305-27-9 CH$LINK: KEGG C03958 CH$LINK: NIKKAJI J3.473H CH$LINK: PUBCHEM SID:6679
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 363 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0229-2940000000-477bce5ad97c79208cb7 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 57.200 74257.5 21 70.000 1896041.5 530 80.700 24752.5 7 83.200 29703.0 8 84.200 188119.0 53 94.900 64356.5 18 96.900 19802.0 6 99.400 19802.0 6 109.400 34653.5 10 110.400 3574261.0 999 111.400 14851.5 4 115.300 1940596.0 542 116.200 34653.5 10 120.000 39604.0 11 142.300 19802.0 6 163.500 34653.5 10 166.200 321782.5 90 176.100 2183170.5 610 187.900 29703.0 8 204.000 594060.0 166 221.400 2683171.0 750 231.300 34653.5 10 235.400 34653.5 10 249.500 514852.0 144 263.000 34653.5 10 //