MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010520
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010520
RECORD_TITLE: METHYL 4-HYDROXY-2-METHOXY-3,5,6-TRIMETHYLBENZOATE; 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$NAME: METHYL 4-HYDROXY-2-METHOXY-3,5,6-TRIMETHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O4
CH$EXACT_MASS: 224.10486
CH$SMILES: COC(=O)c(c(C)1)c(OC)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C12H16O4/c1-6-7(2)10(13)8(3)11(15-4)9(6)12(14)16-5/h13H,1-5H3
CH$LINK: CAS
34874-83-4
CH$LINK: INCHIKEY
UCGSEFPFVKCJLI-UHFFFAOYSA-N
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$SPLASH: splash10-0006-6910000000-b89ee6cbefbb54519e5e
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
14 1.75 18
15 15.68 157
17 1.18 12
27 5.41 54
28 20.86 209
29 4.91 49
30 1.02 10
31 2.96 30
32 5.11 51
33 1.38 14
39 8.25 83
40 1.53 15
41 4.3 43
43 5.46 55
45 2.83 28
50 1.56 16
51 5.12 51
52 2.61 26
53 6.25 63
54 1.1 11
55 4.43 44
59 2.42 24
63 3.77 38
64 1.45 15
65 7.24 72
66 2.93 29
67 8.02 80
77 13.52 135
78 4.25 43
79 8.18 82
80 1.12 11
81 1.6 16
83 4.65 47
89 1.79 18
91 18.05 181
92 3.3 33
93 5.47 55
94 1.85 19
95 1 10
98 2.11 21
103 2.47 25
104 1.22 12
105 4.51 45
106 1.12 11
107 7.64 76
108 1.12 11
109 1.1 11
115 1.07 11
119 2.41 24
120 2.05 21
121 8.55 86
122 3.44 34
123 1.2 12
133 1.93 19
134 12.06 121
135 7.93 79
136 3.09 31
137 2.35 24
146 3.66 37
147 2.26 23
148 1.99 20
149 12.37 124
150 13.36 134
151 2.65 27
162 1.05 11
163 11.54 115
164 3.63 36
165 4.78 48
166 1.96 20
175 1.79 18
176 1.42 14
177 12.58 126
178 5.67 57
179 2.15 22
191 4.08 41
192 21.47 215
193 99.99 999
194 12.39 124
195 2.13 21
207 2.98 30
209 1.73 17
223 1.96 20
224 47.9 479
225 6.55 66
//
system version 2.2.8-SNAPSHOT