MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008282
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008282
RECORD_TITLE: URACIL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: URACIL
CH$NAME: 2,4(1H,3H)-PYRIMIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H4N2O2
CH$EXACT_MASS: 112.02728
CH$SMILES: O=C(C=1)NC(=O)NC1
CH$IUPAC: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
CH$LINK: CAS
66-22-8
CH$LINK: INCHIKEY
ISAKRJDGNUQOIC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021424
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-02tc-9200000000-4a57c4e06fd552d6a9bf
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 8.89 89
15 2.03 20
16 23.98 240
17 40.9 409
26 5.14 51
27 4.4 44
28 37.37 374
29 4.96 50
36 16.68 167
38 8.74 87
39 5.1 51
40 27.93 279
41 30.43 304
42 58.56 586
43 4.84 48
44 9.61 96
45 8.74 87
59 1.23 12
60 3.16 32
68 18.37 184
69 69.75 698
70 7.87 79
73 2.48 25
88 2.16 22
112 99.99 999
113 7.05 71
116 5.02 50
//
system version 2.2.6-SNAPSHOT