MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008039
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008039
RECORD_TITLE: 6-METHYLSALICYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHYLSALICYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: OC(=O)c(c(C)1)c(O)ccc1
CH$IUPAC: InChI=1S/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
CH$LINK: INCHIKEY
HCJMNOSIAGSZBM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20205257
AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-0kai-5900000000-aba68ee6dffda3922de1
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
35 0.28 3
37 1.15 12
38 2.64 26
39 10.16 102
40 0.46 5
41 2.51 25
42 0.38 4
43 1.98 20
44 0.87 9
45 1.03 10
46 0.21 2
47 0.55 6
48 0.29 3
49 0.53 5
50 4.48 45
51 11.1 111
52 7.53 75
53 4.43 44
54 0.61 6
55 2.18 22
56 1.06 11
57 3.17 32
58 0.26 3
59 1.59 16
60 0.69 7
61 1.18 12
62 2.27 23
63 4.43 44
64 1.02 10
65 1.42 14
66 1.47 15
67 2.88 29
68 0.43 4
69 1.57 16
70 0.81 8
71 1.74 17
72 0.13 1
73 0.94 9
74 1.57 16
75 1.71 17
76 2.23 22
77 17.39 174
78 30.56 306
79 4.75 48
80 0.45 5
81 0.86 9
82 0.48 5
83 2.25 23
84 0.47 5
85 1.54 15
86 0.42 4
87 0.46 5
88 0.19 2
89 0.95 10
90 0.6 6
91 0.92 9
92 0.33 3
93 0.47 5
94 0.24 2
95 0.96 10
96 0.46 5
97 1.03 10
98 0.38 4
99 0.56 6
100 0.15 2
101 0.24 2
102 0.14 1
103 0.2 2
104 0.8 8
105 33.65 337
106 41.21 412
107 5.28 53
108 1.89 19
109 0.6 6
110 0.36 4
111 0.69 7
112 0.37 4
113 0.49 5
114 0.14 1
115 0.21 2
116 0.29 3
117 0.25 3
118 0.67 7
119 0.42 4
120 0.2 2
121 0.5 5
122 0.19 2
123 0.52 5
124 0.17 2
125 0.42 4
126 0.1 1
127 0.16 2
128 0.2 2
129 0.51 5
130 0.19 2
131 0.1 1
132 0.19 2
133 0.8 8
134 99.99 999
135 12.31 123
136 1.12 11
137 0.27 3
138 0.25 3
139 0.18 2
140 0.2 2
141 0.31 3
143 0.28 3
144 0.12 1
145 0.23 2
146 0.47 5
147 0.18 2
148 0.58 6
149 4.59 46
150 0.53 5
151 0.56 6
152 48.18 482
153 5.08 51
154 0.59 6
155 0.24 2
//
system version 2.2.6-SNAPSHOT