ACCESSION: MSBNK-Keio_Univ-KO003050
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 363
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03dj-0489000000-60d2e62d6f7337b3b29d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  57.100 59406.0 7
  99.000 54455.5 7
  105.000 49505.0 6
  110.100 44554.5 5
  115.300 2693072.0 323
  120.500 19802.0 2
  145.800 24752.5 3
  148.900 49505.0 6
  161.300 79208.0 10
  166.400 24752.5 3
  171.600 9901.0 1
  174.800 49505.0 6
  183.100 79208.0 10
  188.200 178218.0 21
  189.100 99010.0 12
  197.200 1282179.5 154
  204.300 24752.5 3
  205.300 2009903.0 241
  212.900 24752.5 3
  219.300 49505.0 6
  219.800 44554.5 5
  221.400 668317.5 80
  227.200 69307.0 8
  231.400 24752.5 3
  241.900 14851.5 2
  243.000 14851.5 2
  249.500 5534659.0 665
  261.100 24752.5 3
  263.200 59406.0 7
  271.100 29703.0 4
  276.200 29703.0 4
  303.300 103960.5 12
  329.200 29703.0 4
  331.300 14851.5 2
  346.500 272277.5 33
  363.500 8316840.0 999
//