MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012302
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012302
RECORD_TITLE: 2-PHENYLDECANE; 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$NAME: 2-PHENYLDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26
CH$EXACT_MASS: 218.20345
CH$SMILES: CCCCCCCCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H26/c1-3-4-5-6-7-9-12-15(2)16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
CH$LINK: CAS
4537-13-7
CH$LINK: INCHIKEY
DDTJIQUCOLHYDL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10874870
AC$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: splash10-00kf-1940000000-12079a1bfcb9831e7089
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
57 3.43 34
71 6.46 65
79 1.2 12
85 7.54 75
99 4.22 42
105 21.26 213
106 2.14 21
107 2.53 25
119 5.06 51
133 1.78 18
141 99.99 999
142 10.68 107
147 2.29 23
161 2.65 27
203 9.77 98
204 1.6 16
217 46.29 463
218 14.9 149
219 3.9 39
//