MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010525
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010525
RECORD_TITLE: ANTHRAFRAVIC ACID; 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$NAME: ANTHRAFRAVIC ACID
CH$NAME: 2,6-DIHYDROXYANTHRAQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H8O4
CH$EXACT_MASS: 240.04226
CH$SMILES: Oc(c3)cc(c(=O)1)c(c3)c(=O)c(c2)c(ccc(O)2)1
CH$IUPAC: InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
CH$LINK: INCHIKEY
APAJFZPFBHMFQR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6036546
AC$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 30 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0536-1960000000-174897766d8d56ad2830
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
18 1.34 13
28 1.76 18
63 2.97 30
65 2.53 25
75 2.24 22
76 1.88 19
77 10.44 104
78 2.55 26
89 2.4 24
92 7.18 72
93 1.69 17
101 7.46 75
102 11.4 114
103 1.88 19
105 1.06 11
106 1.59 16
113 1.93 19
114 1.15 12
115 1.89 19
120 2.48 25
121 1.16 12
125 1.1 11
126 12.71 127
128 43.06 431
129 6.97 70
130 2.81 28
131 1.37 14
137 1.57 16
138 3.44 34
139 17.97 180
140 3.53 35
154 2.19 22
155 58.56 586
156 10.83 108
166 1.08 11
167 4.24 42
168 5.11 51
183 14.44 144
184 52.55 526
185 7.58 76
195 5.06 51
196 5.2 52
211 11.16 112
212 49.17 492
213 7.17 72
223 13.02 130
224 8.6 86
225 1.11 11
239 8.26 83
240 99.99 999
241 15.27 153
242 2.28 23
//