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MassBank Record: KO003051

TRH; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003051
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00xs-0590000000-a341a2791f28403b7e04
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  56.800 59406.0 10
  69.800 391089.5 66
  84.100 39604.0 7
  94.900 14851.5 2
  99.300 19802.0 3
  110.000 702971.0 118
  110.800 9901.0 2
  115.300 5282183.5 887
  149.300 94059.5 16
  159.100 19802.0 3
  161.100 39604.0 7
  163.400 24752.5 4
  166.100 331683.5 56
  175.000 74257.5 12
  176.100 519802.5 87
  188.200 306931.0 52
  197.200 123762.5 21
  197.600 34653.5 6
  204.100 420792.5 71
  205.400 534654.0 90
  213.500 34653.5 6
  219.600 79208.0 13
  221.300 5950501.0 999
  227.000 64356.5 11
  231.100 59406.0 10
  234.300 34653.5 6
  240.800 19802.0 3
  249.400 5277233.0 886
  263.200 262376.5 44
  346.500 64356.5 11
  363.500 326733.0 55
//

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