MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012318
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012318
RECORD_TITLE: TRIDECYLBENZENE; 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$NAME: TRIDECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3
CH$LINK: CAS
123-02-4
CH$LINK: INCHIKEY
MCVUKOYZUCWLQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7040784
AC$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: splash10-08fr-0190000000-cb6bc34539c1e0d12a80
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
57 4.69 47
71 5.77 58
85 5.25 53
91 9.35 94
92 4.05 41
99 3.7 37
105 5.5 55
113 3.83 38
119 4.31 43
127 3.1 31
133 4.63 46
141 2.19 22
147 4.73 47
161 4.55 46
175 3.85 39
183 9.46 95
189 3.39 34
203 2.23 22
217 1.74 17
231 2.23 22
238 1.11 11
245 7.97 80
246 1.47 15
259 99.99 999
260 33 330
261 98.62 986
262 19.39 194
263 2 20
289 34.94 349
290 7.7 77
301 8.36 84
302 1.84 18
303 1.04 10
//