MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011641
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011641
RECORD_TITLE: UREA; 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$NAME: UREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH4N2O
CH$EXACT_MASS: 60.03236
CH$SMILES: NC(N)=O
CH$IUPAC: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
CH$LINK: CAS
57-13-6
CH$LINK: INCHIKEY
XSQUKJJJFZCRTK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021426
AC$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: splash10-02tc-9000000000-d69da17ffbb84fb6bdca
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
16 11.08 111
17 52.82 528
18 46.68 467
27 1.02 10
28 2.49 25
29 2.13 21
31 2.1 21
41 1.28 13
42 3.02 30
43 11.23 112
44 69.84 698
45 1.3 13
60 99.99 999
61 4.14 41
//