MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009498
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009498
RECORD_TITLE: URACIL; 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$NAME: URACIL
CH$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-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: splash10-03xu-9400000000-1c29f070a8135b06f88b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
14 2.32 23
18 1.76 18
25 1.08 11
26 4.6 46
27 3.46 35
28 36.75 368
29 3.47 35
38 3.07 31
39 5.91 59
40 22.36 224
41 24.86 249
42 39.52 395
43 9.79 98
44 3.9 39
53 1.81 18
56 1.33 13
67 1.04 10
68 15.96 160
69 47.21 472
70 5.62 56
112 99.99 999
113 6.11 61
//