MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012301
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012301
RECORD_TITLE: DECYLBENZENE; 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$NAME: DECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26
CH$EXACT_MASS: 218.20345
CH$SMILES: CCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3
CH$LINK: CAS
104-72-3
CH$LINK: INCHIKEY
UZILCZKGXMQEQR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5051529
AC$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-1190000000-6ad9c826b162da87e1ff
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
57 9.5 95
71 13.92 139
85 14.43 144
91 14.67 147
92 4.25 43
99 6.25 63
105 8.02 80
107 1.01 10
119 6.91 69
133 6.27 63
141 12.44 124
142 1.31 13
147 5.07 51
161 3.65 37
175 2.47 25
189 1.88 19
203 6.82 68
204 1.17 12
217 82.46 825
218 26.4 264
219 99.99 999
220 16.35 164
247 37 370
248 6.94 69
259 10.04 100
260 1.99 20
261 1.07 11
//