MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009560
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009560
RECORD_TITLE: FLUORESCEIN; 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$NAME: FLUORESCEIN
CH$NAME: 3',6'-DIHYDROXYSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H12O5
CH$EXACT_MASS: 332.06847
CH$SMILES: Oc(c5)cc(O1)c(c5)C(O3)(c(c4)c(ccc4)C(=O)3)c(c2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H
CH$LINK: CAS
2321-07-5
CH$LINK: INCHIKEY
GNBHRKFJIUUOQI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0038887
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$SPLASH: splash10-000i-2290000000-eaff9e9aba714ba94d70
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
39 3.15 32
41 2.34 23
43 3.9 39
44 2.62 26
50 3.23 32
51 2.94 29
52 1.28 13
53 2.5 25
55 2.74 27
62 1.42 14
63 4.01 40
65 1.36 14
67 1.16 12
69 3.71 37
71 2.63 26
74 1.99 20
75 3.49 35
76 6.79 68
77 2.73 27
79 1.54 15
81 2.23 22
86 1.1 11
87 1.85 19
88 3.44 34
89 1.44 14
91 1.2 12
93 2.04 20
94 1.36 14
95 1.26 13
100 2.76 28
101 4.98 50
104 4.03 40
105 1.62 16
106 1.01 10
107 2.61 26
108 1.31 13
109 1.27 13
110 1.14 11
113 1.11 11
115 2.41 24
121 2.31 23
126 1.23 12
127 1.26 13
128 1.02 10
129 2.65 27
135 4.68 47
136 2.03 20
137 2.79 28
138 4.09 41
139 3.35 34
144 7.75 78
149 1.24 12
150 2.27 23
151 1.96 20
152 2.88 29
163 2.45 25
170 1.04 10
174 1.41 14
175 2.05 21
176 4 40
177 1.03 10
186 1.37 14
187 2.98 30
188 1.65 17
189 4.6 46
190 1.1 11
198 1.07 11
199 1.22 12
200 6.25 63
201 4.86 49
202 13.51 135
203 2.83 28
205 1.26 13
211 1.22 12
212 1.2 12
213 5.3 53
214 1.28 13
229 2.94 29
231 2.23 22
240 1.17 12
242 1.49 15
258 8.09 81
259 4.58 46
260 1.09 11
271 32.54 325
272 6.83 68
273 1.35 14
287 99.99 999
288 69.68 697
289 13.13 131
290 1.74 17
303 2.28 23
331 1.39 14
332 3.28 33
333 1 10
//