MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012343
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012343
RECORD_TITLE: 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$NAME: ANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H10
CH$EXACT_MASS: 178.07825
CH$SMILES: c(c3)cc(c1)c(c3)cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
CH$LINK: CAS
120-12-7
CH$LINK: INCHIKEY
MWPLVEDNUUSJAV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023878
AC$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: splash10-004i-0910000000-ac28bce594f91ad10f14
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
178 21.19 212
179 99.99 999
180 14.74 147
181 1.64 16
207 19.15 192
208 3.25 33
219 3.33 33
//
system version 2.2.6-SNAPSHOT