MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002613
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002613
RECORD_TITLE: 9-ETHYLPHENANTHRENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 9-ETHYLPHENANTHRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14
CH$EXACT_MASS: 206.10955
CH$SMILES: CCc(c1)c(c3)c(ccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H14/c1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16/h3-11H,2H2,1H3
CH$LINK: INCHIKEY
ZWANHXINCHPSIK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90190202
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-0960000000-3277ecfdca038bf2ade3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
103 0.53 5
152 0.81 8
165 16.59 166
166 2.24 22
176 1.61 16
177 1.35 14
178 3.99 40
179 1.01 10
189 12.53 125
190 7.06 71
191 99.99 999
192 16.79 168
193 1.32 13
202 1.61 16
203 4.13 41
204 1.93 19
205 3.06 31
206 86.05 861
207 13.87 139
208 1.13 11
//