MassBank Record: KO000954



 TRH; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000954
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 361 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9642000000-053ad6150b5df7c71821 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 45.000 1841586.0 999 59.100 54455.5 30 113.200 59406.0 32 128.700 108911.0 59 131.900 24752.5 13 151.400 49505.0 27 157.200 465347.0 252 173.200 168317.0 91 177.300 49505.0 27 180.900 44554.5 24 187.400 19802.0 11 188.800 14851.5 8 195.000 306931.0 167 199.400 34653.5 19 202.900 391089.5 212 233.300 39604.0 21 234.600 14851.5 8 247.400 470297.5 255 263.300 39604.0 21 342.900 34653.5 19 361.600 470297.5 255 //