MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011927
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
//
system version 2.2.6-SNAPSHOT