MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012194
RECORD_TITLE: CYCLODODECANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLODODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24
CH$EXACT_MASS: 168.18780
CH$SMILES: C(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
CH$LINK: CAS
294-62-2
CH$LINK: COMPTOX
DTXSID9021552
CH$LINK: INCHIKEY
DDTBPAQBQHZRDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:9268
AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-014i-5900000000-77e780c8a006443fff66
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
57 16.21 162
69 1.2 12
71 20.12 201
72 1.04 10
83 11.13 111
85 10.13 101
97 38.03 380
98 3.28 33
99 16.28 163
100 1.26 13
111 27.72 277
112 2.48 25
113 13.79 138
114 1.38 14
125 6.78 68
127 7.1 71
165 2.3 23
167 99.99 999
168 15.17 152
169 12.48 125
170 1.59 16
//