MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011278
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011278
RECORD_TITLE: NAPHTHACENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: NAPHTHACENE
CH$NAME: 2,3-BENZANTHRACENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12
CH$EXACT_MASS: 228.09390
CH$SMILES: c(c4)cc(c1)c(c4)cc(c2)c(cc(c3)c(ccc3)2)1
CH$IUPAC: InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
CH$LINK: INCHIKEY
IFLREYGFSNHWGE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4059045
AC$INSTRUMENT: HITACHI M-80A
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-0190000000-b50449b26ea5f819731c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
29 1.05 11
39 1.09 11
40 1.91 19
88 1.19 12
100 1.86 19
101 3.03 30
112 1.49 15
113 4.09 41
114 10.23 102
200 2.49 25
201 1.33 13
202 2.66 27
224 3.34 33
225 3.03 30
226 16.84 168
227 5.46 55
228 99.99 999
229 19.42 194
230 1.97 20
//