ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N
CH$LINK: COMPTOX DTXSID0023533

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
//