MassBank Record: KO008965

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TRH; LC-ESI-IT; MS3; m/z: 363/115; [M+H]+

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ACCESSION: KO008965
RECORD_TITLE: TRH; LC-ESI-IT; MS3; m/z: 363/115; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G117
COMMENT: [MS2] KO008963

CH$NAME: TRH
CH$NAME: Protirelin
CH$NAME: Thyrotropin releasing hormone
CH$NAME: Thyroliberin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22N6O4
CH$EXACT_MASS: 362.1702500000000100044417195022106170654296875
CH$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$LINK: CHEBI 35940
CH$LINK: COMPTOX DTXSID0023533
CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N
CH$LINK: KEGG C03958
CH$LINK: PUBCHEM 6679

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 363/115
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00di-9100000000-e6c6542714101fa989df
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69.4 4.50 4
  70.2 1092.77 999
  71.2 54.30 50
  80.7 4.67 4
  86.2 9.67 9
  88.2 2.17 2
  115.1 177.10 162
  116.0 16.17 15
  175.0 5.25 5
  186.9 2.41 2
//