MassBank Record: KO003052

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TRH; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003052
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0229-2940000000-477bce5ad97c79208cb7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  57.200 74257.5 21
  70.000 1896041.5 530
  80.700 24752.5 7
  83.200 29703.0 8
  84.200 188119.0 53
  94.900 64356.5 18
  96.900 19802.0 6
  99.400 19802.0 6
  109.400 34653.5 10
  110.400 3574261.0 999
  111.400 14851.5 4
  115.300 1940596.0 542
  116.200 34653.5 10
  120.000 39604.0 11
  142.300 19802.0 6
  163.500 34653.5 10
  166.200 321782.5 90
  176.100 2183170.5 610
  187.900 29703.0 8
  204.000 594060.0 166
  221.400 2683171.0 750
  231.300 34653.5 10
  235.400 34653.5 10
  249.500 514852.0 144
  263.000 34653.5 10
//