ACCESSION: JP011109
RECORD_TITLE: N,N'-DIISOPROPYLTHIOUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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
//

Formula		m/z