MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009865
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009865
RECORD_TITLE: DICYCLOHEXYLCARBODIIMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DICYCLOHEXYLCARBODIIMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22N2
CH$EXACT_MASS: 206.17830
CH$SMILES: C(C2)CCC(C2)N=C=NC(C1)CCCC1
CH$IUPAC: InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
CH$LINK: CAS
538-75-0
CH$LINK: INCHIKEY
QOSSAOTZNIDXMA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1023817
AC$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: splash10-052f-9000000000-0b76a833bcb87eb1cdb4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
27 32 320
28 14 140
29 35.6 356
30 1.5 15
39 32.5 325
40 4.8 48
41 99.99 999
42 8.8 88
43 51 510
52 1.5 15
53 15.5 155
54 15 150
55 96 960
56 9.5 95
65 1.5 15
66 1.3 13
67 14.2 142
68 6 60
69 4 40
77 1 10
79 2.8 28
80 1.1 11
81 24.5 245
82 14.3 143
83 33 330
84 1.6 16
95 4 40
96 4.8 48
124 9.5 95
125 7.3 73
151 1.1 11
163 9.5 95
164 4.9 49
177 2.2 22
//
system version 2.2.6-SNAPSHOT