MassBank Record: KO000956



 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: KO000956
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 361 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9400000000-0618f714b1fb10949249 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 41.800 29703.0 17 45.100 1747526.5 999 58.800 54455.5 31 85.300 168317.0 96 92.700 14851.5 8 97.100 34653.5 20 111.100 158416.0 91 113.400 292079.5 167 114.800 29703.0 17 123.800 19802.0 11 126.700 24752.5 14 128.900 49505.0 28 132.900 94059.5 54 151.000 19802.0 11 156.700 89109.0 51 166.700 128713.0 74 180.900 19802.0 11 219.000 24752.5 14 263.600 54455.5 31 //