MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004564
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004564
RECORD_TITLE: METHYL 4-HYDROXY-3-METHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-HYDROXY-3-METHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O4
CH$EXACT_MASS: 182.05791
CH$SMILES: COC(=O)c(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
CH$LINK: CAS
3943-74-6
CH$LINK: INCHIKEY
BVWTXUYLKBHMOX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5074345
AC$INSTRUMENT: SHIMADZU LKB-9000B
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: splash10-0udi-3900000000-baea5cfe4e199a5ff3bc
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
37 0.6 6
38 1.5 15
39 2 20
41 0.12 1
44 1.5 15
50 4.1 41
51 8.5 85
52 1.15 12
53 4.8 48
54 0.5 5
55 1.5 15
59 0.19 2
61 0.6 6
62 2 20
63 4.1 41
64 0.16 2
65 7 70
66 1.3 13
67 1.5 15
74 0.07 1
77 3.6 36
79 5.3 53
80 5 50
81 0.09 1
91 0.9 9
92 2 20
93 2.4 24
94 0.07 1
95 0.6 6
100 0.7 7
107 1.4 14
108 1.09 11
109 1.3 13
111 4.7 47
120 1.5 15
121 0.11 1
122 1.6 16
123 18.4 184
124 1.9 19
125 0.12 1
135 0.5 5
136 4.4 44
137 0.5 5
139 0.35 4
149 1.1 11
151 99.99 999
152 9 90
153 0.14 1
167 5.6 56
168 0.6 6
181 1.3 13
182 6.95 70
183 7.7 77
184 0.6 6
//
system version 2.2.8-SNAPSHOT