MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002948
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002948
RECORD_TITLE: N-NITROSO DICYCLOHEXYLAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: N-NITROSO DICYCLOHEXYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22N2O
CH$EXACT_MASS: 210.17321
CH$SMILES: O=NN(C(C2)CCCC2)C(C1)CCCC1
CH$IUPAC: InChI=1S/C12H22N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
CH$LINK: INCHIKEY
CYMNKXLBEMEABS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4073128
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-053r-9000000000-92ad42dbae7347e6ecdd
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 9.22 92
28 4.76 48
29 11.78 118
30 7.58 76
36 2.69 27
39 10.72 107
41 43.46 435
42 5.54 55
43 6.73 67
44 12.48 125
47 5.88 59
53 5.37 54
54 11.67 117
55 79.38 794
56 11.39 114
67 13.72 137
68 3.31 33
69 2.91 29
70 2.19 22
79 2.42 24
80 2.23 22
81 10.1 101
82 12.2 122
83 99.99 999
84 5.82 58
98 14.69 147
111 3.46 35
128 6.87 69
129 16.46 165
193 2.18 22
210 11.32 113
//