MassBank Record: KO003049

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TRH; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003049
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:10 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: 362.1702500000000100044417195022106170654296875
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: COMPTOX DTXSID0023533
CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N
CH$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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

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

PK$SPLASH: splash10-03di-0019000000-dffa317a366b083870bd
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  98.900 34653.5 1
  161.200 39604.0 2
  188.300 59406.0 3
  189.100 163366.5 7
  197.200 1915843.5 83
  205.200 2579210.5 112
  221.500 29703.0 1
  227.000 74257.5 3
  229.800 29703.0 1
  233.000 29703.0 1
  247.500 99010.0 4
  249.200 227723.0 10
  262.300 24752.5 1
  276.400 69307.0 3
  277.300 34653.5 1
  303.400 321782.5 14
  319.100 24752.5 1
  327.300 44554.5 2
  331.100 39604.0 2
  346.000 34653.5 1
  346.600 79208.0 3
  363.500 23094082.5 999
//