ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011323
RECORD_TITLE: 1,1,3,3-TETRAMETHYLUREA; 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$NAME: 1,1,3,3-TETRAMETHYLUREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂N₂O
CH$EXACT_MASS: 116.09496
CH$SMILES: CN(C)C(=O)N(C)C
CH$IUPAC: InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
CH$LINK: CAS 632-22-4
CH$LINK: INCHIKEY AVQQQNCBBIEMEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060893

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-00dl-9200000000-e3c90e73a580e1f62365
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  15 7.28 73
  18 4 40
  28 4.82 48
  41 1.51 15
  42 14.14 141
  43 4.11 41
  44 36.62 366
  45 6.46 65
  56 4.33 43
  58 4.45 45
  72 99.99 999
  73 4.56 46
  116 39.73 397
  117 3.34 33
//