MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007930
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007930
RECORD_TITLE: DICYCLOHEXYLUREA; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: DICYCLOHEXYLUREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24N2O
CH$EXACT_MASS: 224.18886
CH$SMILES: O=C(NC(C2)CCCC2)NC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
CH$LINK: INCHIKEY
ADFXKUOMJKEIND-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3062366
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-9100000000-bcc56a556909cc350e88
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
53 1.76 18
54 4.02 40
55 16.79 168
56 99.99 999
57 6.19 62
61 35.07 351
67 6.46 65
68 1.04 10
69 2.6 26
70 19.07 191
71 1.67 17
79 1.51 15
81 3.92 39
82 4.55 46
83 5.61 56
84 1.15 12
96 0.91 9
97 2.86 29
98 17.5 175
99 38.34 383
100 8.3 83
142 2.26 23
143 18.29 183
144 1.68 17
224 14.19 142
225 2.3 23
//
system version 2.2.6-SNAPSHOT