MassBank Record: KO008964

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TRH; LC-ESI-IT; MS3; m/z: 363/221; [M+H]+

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ACCESSION: KO008964
RECORD_TITLE: TRH; LC-ESI-IT; MS3; m/z: 363/221; [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 0.90/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 363/221
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0fb9-0970000000-6455b5f7c028ea012c45
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  83.2 19.65 25
  84.2 1.50 2
  93.1 21.16 27
  95.2 6.17 8
  110.1 267.49 339
  111.2 4.58 6
  120.1 15.41 20
  148.2 7.00 9
  176.1 788.30 999
  177.1 80.74 102
  179.1 6.00 8
  193.1 21.15 27
  203.1 6.67 8
  204.1 735.74 932
  205.0 123.31 156
  221.5 30.08 38
  222.1 121.31 154
//