MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012308
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012308
RECORD_TITLE: 3-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$NAME: 3-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H28
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCCCC(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3
CH$LINK: CAS
4536-87-2
CH$LINK: INCHIKEY
NVHBFHMWJJMQTG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20874982
AC$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-0930000000-65dc14540dda68d550e5
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
57 2.07 21
71 3.16 32
85 4.47 45
91 1.15 12
99 4.21 42
105 2.73 27
107 1.74 17
113 2.5 25
119 16.1 161
120 1.63 16
133 3.77 38
147 3.07 31
155 99.99 999
156 11.57 116
161 4.22 42
175 2.32 23
203 5.56 56
217 6.29 63
218 1.06 11
231 39.19 392
232 11.47 115
233 2.05 21
//