MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009500
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009500
RECORD_TITLE: THYMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: THYMINE
CH$NAME: 5-METHYLURACIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6N2O2
CH$EXACT_MASS: 126.04293
CH$SMILES: CC(=C1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
CH$LINK: CAS
65-71-4
CH$LINK: INCHIKEY
RWQNBRDOKXIBIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4052342
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$SPLASH: splash10-004i-9500000000-74b6d7909610070d30d0
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
18 1.22 12
26 4.65 47
27 10.06 101
28 28.56 286
29 2.41 24
38 1.93 19
39 5.35 54
40 3.01 30
42 1.94 19
43 4.47 45
44 3.71 37
51 1.8 18
52 6.98 70
53 4.13 41
54 23.97 240
55 62.89 629
56 4.56 46
70 2.46 25
71 2.15 22
82 6.62 66
83 9.34 93
84 1.46 15
97 1.23 12
126 99.99 999
127 8.33 83
//
system version 2.2.8-SNAPSHOT