MassBank Record: KO000957



 TRH; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000957
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:50 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 361 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9200000000-7b035c9e931bc5a9000f PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 42.300 34653.5 27 45.100 1301981.5 999 58.700 39604.0 30 67.200 24752.5 19 70.200 34653.5 27 85.200 99010.0 76 97.200 59406.0 46 111.100 128713.0 99 112.800 143564.5 110 117.900 14851.5 11 133.300 34653.5 27 166.900 39604.0 30 //