MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010524
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010524
RECORD_TITLE: ANTHRAQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
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$LINK: CAS
84-65-1
CH$LINK: INCHIKEY
RZVHIXYEVGDQDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020095
AC$INSTRUMENT: HITACHI M-80
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: splash10-0zgi-5930000000-2793068dd8a1a8873de2
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
18 1.47 15
27 2.38 24
28 1.91 19
38 2.11 21
39 5.59 56
49 1.03 10
50 26.67 267
51 7.45 75
52 1.13 11
53 1.74 17
61 1.15 12
62 3.81 38
63 10.6 106
73 1.9 19
74 18.8 188
75 20.93 209
76 44.08 441
77 9.51 95
78 1.3 13
85 1.03 10
86 3.65 37
87 5.5 55
88 1.49 15
89 1.74 17
90 4.74 47
98 4.55 46
99 4.52 45
100 2.18 22
101 2.31 23
102 4.19 42
104 2.93 29
110 1.36 14
111 1.72 17
113 2.14 21
122 1.31 13
125 4.48 45
126 14.05 141
127 1.95 20
149 2.33 23
150 21.87 219
151 42.44 424
152 87.54 875
153 11.88 119
176 2 20
178 12.21 122
179 5.89 59
180 99.99 999
181 14.37 144
182 1.17 12
207 13.72 137
208 94.16 942
209 14.76 148
210 1.51 15
//