MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012365
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012365
RECORD_TITLE: 7-METHYLBENZ(A)ANTHRACENE; 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$NAME: 7-METHYLBENZ(A)ANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H14
CH$EXACT_MASS: 242.10955
CH$SMILES: c(c4)cc(c3)c(c4)c(c1)c(c3)c(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C19H14/c1-13-16-8-4-3-7-15(16)12-19-17(13)11-10-14-6-2-5-9-18(14)19/h2-12H,1H3
CH$LINK: CAS
2541-69-7
CH$LINK: INCHIKEY
DIIFUCUPDHMNIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40180072
AC$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: splash10-0006-0090000000-0e0b7114c2aed445adf5
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
107 1.2 12
241 2.61 26
242 28.06 281
243 99.99 999
244 19.71 197
245 4.24 42
271 16.22 162
272 3.69 37
273 1.09 11
283 2.64 26
//