MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004082
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004082
RECORD_TITLE: 6-HYDROXY-7-METHOXYCOUMARIN; 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$NAME: 6-HYDROXY-7-METHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8O4
CH$EXACT_MASS: 192.04226
CH$SMILES: COc(c1)c(O)cc(C=2)c(OC(=O)C2)1
CH$IUPAC: InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
CH$LINK: INCHIKEY
SYTYLPHCLSSCOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40228266
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$SPLASH: splash10-0007-4900000000-368d336ba855c6336983
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
28 3.2 32
38 2.3 23
39 7.1 71
41 1.3 13
42 1.8 18
50 7.7 77
51 18.1 181
52 0.31 3
53 10.7 107
54 1.2 12
55 1.8 18
57 0.12 1
62 1.6 16
63 3.2 32
64 1.9 19
65 0.84 8
66 1.5 15
69 27.2 272
70 1.3 13
74 0.15 2
75 1.7 17
76 2.4 24
77 3.3 33
78 0.12 1
79 15.3 153
80 1.8 18
81 2.7 27
92 0.26 3
93 1.9 19
96 2.7 27
105 2.6 26
107 0.24 2
120 1.6 16
121 15.4 154
122 1.1 11
135 0.17 2
149 56.7 567
150 5.6 56
164 36.5 365
165 0.35 4
177 11.8 118
178 1.7 17
191 1.7 17
192 99.99 999
193 10.9 109
194 1.4 14
//
system version 2.2.6-SNAPSHOT