MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012314
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012314
RECORD_TITLE: 3-PHENYLDODECANE; 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$NAME: 3-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H30
CH$EXACT_MASS: 246.23475
CH$SMILES: CCCCCCCCCC(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
CH$LINK: CAS
2400-00-2
CH$LINK: INCHIKEY
PGVOXXHNGYYHHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40862922
AC$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: splash10-014j-0940000000-3b8cfd9945987c212125
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
57 1.94 19
71 2.01 20
85 2.82 28
91 1.1 11
99 3.29 33
105 2.63 26
107 1.68 17
113 3.22 32
119 16.07 161
120 1.56 16
127 1.83 18
133 3.14 31
147 2.28 23
161 3.07 31
169 99.99 999
170 12.84 128
175 3.83 38
189 2.05 21
217 5.56 56
231 7.21 72
232 1.37 14
245 44.83 448
246 13.36 134
247 2.17 22
//