ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011927
RECORD_TITLE: URAMIL; 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$NAME: URAMIL
CH$NAME: 5-AMINOBARBITURIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₅N₃O₃
CH$EXACT_MASS: 143.03309
CH$SMILES: O=C(N1)NC(=O)C(N)C(=O)1
CH$IUPAC: InChI=1S/C4H5N3O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,5H2,(H2,6,7,8,9,10)
CH$LINK: CAS 118-78-5
CH$LINK: NIKKAJI J5.306F
CH$LINK: INCHIKEY PSQZLWHRJMYZHD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3059478

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$SPLASH: splash10-05r0-9000000000-ecc78860e3e51a2e559b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  14 1.48 15
  15 2.38 24
  16 7.21 72
  17 16.63 166
  18 69.75 698
  26 1.17 12
  27 8.95 90
  28 68.59 686
  29 83.7 837
  30 5.49 55
  31 1.53 15
  32 3.32 33
  36 4.79 48
  38 1.82 18
  39 1.18 12
  40 1.04 10
  41 3.63 36
  42 10.36 104
  43 18.59 186
  44 27.3 273
  45 7.35 74
  46 2.19 22
  53 1.32 13
  54 2.06 21
  55 2.57 26
  56 1.46 15
  57 99.99 999
  58 3.92 39
  60 1.09 11
  69 1.21 12
  70 4.31 43
  71 2.24 22
  72 2.17 22
  87 1.42 14
  100 7.5 75
  114 1.37 14
  128 1.93 19
  142 1.18 12
  143 10.34 103
//