MassBank Record: MSBNK-Keio_Univ-KO000954
ACCESSION: MSBNK-Keio_Univ-KO000954
RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:20 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 361
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9642000000-053ad6150b5df7c71821
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
45.000 1841586.0 999
59.100 54455.5 30
113.200 59406.0 32
128.700 108911.0 59
131.900 24752.5 13
151.400 49505.0 27
157.200 465347.0 252
173.200 168317.0 91
177.300 49505.0 27
180.900 44554.5 24
187.400 19802.0 11
188.800 14851.5 8
195.000 306931.0 167
199.400 34653.5 19
202.900 391089.5 212
233.300 39604.0 21
234.600 14851.5 8
247.400 470297.5 255
263.300 39604.0 21
342.900 34653.5 19
361.600 470297.5 255
//