MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012311
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012311
RECORD_TITLE: 6-PHENYLUNDECANE; 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$NAME: 6-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCC(CCCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
CH$LINK: CAS
4537-14-8
CH$LINK: COMPTOX
DTXSID5075446
CH$LINK: INCHIKEY
WCABIRIFXVXGQH-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:20660
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$SPLASH: splash10-0a4i-0930000000-2082f9566e8cd83d002e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
57 2.29 23
71 2.84 28
85 3.92 39
91 1.24 12
99 3.63 36
105 2.87 29
107 1.45 15
113 2.33 23
119 5.01 50
133 4.01 40
147 5.33 53
155 99.99 999
156 12.3 123
161 24.59 246
162 3.49 35
169 1.05 11
175 4.14 41
189 1.15 12
203 2.27 23
217 6.23 62
218 1.04 10
231 38.08 381
232 12.11 121
233 2.12 21
//