MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003532
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003532
RECORD_TITLE: 6,7-DIMETHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6,7-DIMETHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O4
CH$EXACT_MASS: 206.05791
CH$SMILES: COc(c1)c(OC)cc(O2)c(C=CC(=O)2)1
CH$IUPAC: InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
GUAFOGOEJLSQBT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10152640
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0a4i-7980000000-bac19c33733285c01d2e
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
15 3.5 35
38 3 30
39 2.1 21
43 1.4 14
50 6 60
51 12 120
52 1.4 14
53 0.42 4
55 3 30
57 1.6 16
59 3.2 32
62 0.22 2
63 5.2 52
64 3.1 31
65 2.3 23
66 0.17 2
69 13.4 134
74 2.1 21
75 2 20
76 0.43 4
77 5.5 55
79 14.9 149
89 4 40
91 0.19 2
92 7.7 77
95 1.5 15
103 2.7 27
105 0.27 3
107 14.2 142
108 1.3 13
117 2.5 25
119 0.26 3
120 7.6 76
121 2 20
133 2.2 22
135 1.58 16
136 1.4 14
145 3.7 37
148 3.9 39
149 0.39 4
162 1.1 11
163 27.2 272
164 2.6 26
178 1.53 15
179 1.5 15
190 1.6 16
191 45.7 457
192 0.59 6
206 99.99 999
207 13.3 133
208 1.6 16
//