MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001597
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001597
RECORD_TITLE: ANTHRACENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-8900000000-4f166b284ab6771751db
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
50 4.28 43
51 5.64 56
61 1.14 11
62 5.01 50
63 14.42 144
74 5.22 52
75 15.15 152
76 40.64 406
77 2.82 28
86 1.67 17
87 5.53 55
88 22.04 220
89 32.91 329
98 1.77 18
99 1.25 13
126 1.56 16
150 5.43 54
151 7.62 76
152 8.77 88
174 1.77 18
175 3.03 30
176 18.59 186
177 13.37 134
178 99.99 999
179 16.61 166
//