MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009424
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009424
RECORD_TITLE: ANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ANTHRAQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H8O2
CH$EXACT_MASS: 208.05243
CH$SMILES: O=c(c21)c(c3)c(ccc3)c(=O)c(cccc2)1
CH$IUPAC: InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
CH$LINK: INCHIKEY
RZVHIXYEVGDQDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020095
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$SPLASH: splash10-0pc0-4950000000-5e8e781063ee0647c5ba
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
27 2.32 23
28 1.62 16
38 1.66 17
39 5.5 55
50 16.62 166
51 4.82 48
53 1.33 13
62 1.82 18
63 5.82 58
74 8.96 90
75 10.99 110
76 22.62 226
77 5.52 55
86 1.72 17
87 3.28 33
90 1.53 15
98 2.06 21
99 2.14 21
100 1.32 13
101 1.18 12
102 2.92 29
104 1.57 16
113 1.2 12
125 2.03 20
126 9.34 93
127 1.06 11
150 12.24 122
151 21.41 214
152 64.16 642
153 8.49 85
178 1.77 18
179 3.29 33
180 76.12 761
181 10.95 110
207 11.04 110
208 99.99 999
209 20.92 209
210 2.46 25
//