MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012310
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012310
RECORD_TITLE: 5-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$NAME: 5-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCC(CCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
CH$LINK: CAS
4537-15-9
CH$LINK: INCHIKEY
RRPCXIBGXYGQNC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40874984
AC$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-0920000000-1fa8608768360da9cc8e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
57 1.74 17
71 3.27 33
85 4.64 46
91 1.41 14
99 4.3 43
105 3.14 31
107 1.76 18
113 2.55 26
119 4.73 47
133 8.37 84
147 19.19 192
148 2.31 23
155 99.99 999
156 10.81 108
175 12.57 126
176 1.76 18
189 3.03 30
203 1.34 13
217 6.51 65
218 1.05 11
231 33.07 331
232 9.63 96
233 1.69 17
//