MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011916
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011916
RECORD_TITLE: METHYL 4-HYDROXY-2-METHOXY-6-METHYLBENZOATE; 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$NAME: METHYL 4-HYDROXY-2-METHOXY-6-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O4
CH$EXACT_MASS: 196.07356
CH$SMILES: COC(=O)c(c(C)1)c(OC)cc(O)c1
CH$IUPAC: InChI=1S/C10H12O4/c1-6-4-7(11)5-8(13-2)9(6)10(12)14-3/h4-5,11H,1-3H3
CH$LINK: INCHIKEY
ZGYSDRFXXJOWGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70634755
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$SPLASH: splash10-014i-3900000000-3f5671ad133f2fd19213
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
15 8.81 88
18 1.36 14
27 1.59 16
29 4.23 42
30 1.06 11
31 1.58 16
39 1.3 13
40 7.13 71
41 1.46 15
42 1.15 12
44 2.03 20
46 1.14 11
51 2.36 24
52 4.54 45
53 2.21 22
54 4.9 49
56 1.51 15
59 1.2 12
62 1.48 15
63 2.95 30
64 1.29 13
65 5.82 58
66 6.21 62
67 1.94 19
69 5.4 54
77 7.56 76
78 2.43 24
79 2.79 28
81 1.2 12
93 2.35 24
94 3.92 39
95 1.04 10
106 3.14 31
107 6.26 63
108 1.06 11
109 1.6 16
121 6.96 70
122 9.98 100
123 1.06 11
134 1.28 13
135 5.5 55
136 1.56 16
137 1.76 18
138 2.13 21
139 1.3 13
150 4.67 47
151 1.39 14
163 2.13 21
164 24.5 245
165 99.99 999
166 10.18 102
167 2.11 21
179 1.26 13
181 1.18 12
196 35.38 354
197 4.05 41
//
system version 2.2.8-SNAPSHOT