MassBank Record: KO001644



 Propylthiouracil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001644
RECORD_TITLE: Propylthiouracil; 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 P055

CH$NAME: Propylthiouracil CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H10N2OS CH$EXACT_MASS: 170.05138 CH$SMILES: CCCC(=C1)NC(=S)NC(=O)1 CH$IUPAC: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) CH$LINK: CAS 51-52-5 CH$LINK: KEGG C07569 CH$LINK: NIKKAJI J1.363C CH$LINK: PUBCHEM SID:9772
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 169 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-343c26fd83ebb89d346d PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 41.800 29703.0 1 58.000 24514876.0 999 66.900 34653.5 1 77.800 39604.0 2 82.900 9901.0 1 97.300 34653.5 1 107.000 44554.5 2 135.200 34653.5 1 //