MassBank Record: JP011109

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N,N'-DIISOPROPYLTHIOUREA; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP011109
RECORD_TITLE: N,N'-DIISOPROPYLTHIOUREA; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N,N'-DIISOPROPYLTHIOUREA CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16N2S CH$EXACT_MASS: 160.10342 CH$SMILES: CC(C)NC(=S)NC(C)C CH$IUPAC: InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10) CH$LINK: CAS 2986-17-6 CH$LINK: INCHIKEY KREOCUNMMFZOOS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1062756
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0btc-9200000000-bc2741c2cd26287b89d9 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 14 1.38 14 17 2.32 23 26 5.21 52 27 4.17 42 29 1.68 17 32 1.26 13 39 3.61 36 40 1.08 11 41 14.49 145 42 8.98 90 43 26.65 267 44 12.61 126 57 1.52 15 58 99.99 999 59 4.6 46 60 12.91 129 61 1.04 10 62 1.4 14 64 3.3 33 69 1.57 16 70 3.91 39 75 2.21 22 85 6.24 62 90 1.39 14 102 1.1 11 103 1.1 11 117 3.88 39 128 1.09 11 159 2.9 29 160 49.22 492 161 5.29 53 162 2.44 24 //