MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012323
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012323
RECORD_TITLE: 6-PHENYLTRIDECANE; 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$NAME: 6-PHENYLTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H32
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCC(CCCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-3-5-7-8-11-15-18(14-10-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
CH$LINK: CAS
4534-49-0
CH$LINK: INCHIKEY
OTSYFFDVDLHIKX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30875203
AC$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: splash10-001i-0930000000-4317dd20ec4893f3e87a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
85 1.42 14
99 1.86 19
105 2.12 21
107 1.31 13
113 2.34 23
119 3.41 34
127 2.38 24
133 3.81 38
141 1.45 15
147 1.9 19
161 13.83 138
162 1.91 19
167 1.35 14
175 13.87 139
176 1.97 20
183 99.99 999
184 13.8 138
189 10.45 105
190 1.66 17
217 1.28 13
231 1.92 19
245 5.73 57
246 1.22 12
259 39.06 391
260 12.01 120
261 1.84 18
//