MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002226
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002226
RECORD_TITLE: CAMPHORIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: CAMPHORIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O4
CH$EXACT_MASS: 228.13616
CH$SMILES: COC(=O)C([H])(C1)C(C)(C)C(C)(C1)C(=O)OC
CH$IUPAC: InChI=1S/C12H20O4/c1-11(2)8(9(13)15-4)6-7-12(11,3)10(14)16-5/h8H,6-7H2,1-5H3/t8-,12+/m1/s1
CH$LINK: INCHIKEY
JTQKJWYDOXYYBH-PELKAZGASA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-0ap0-4900000000-3e5882cf59c26e7da1ac
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
43 1.3 13
45 2.2 22
51 1.3 13
52 0.31 3
53 12.4 124
54 5.3 53
55 32.8 328
56 0.17 2
59 14.2 142
65 3.1 31
66 3.1 31
67 3.42 34
68 34.6 346
69 29.3 293
70 1.3 13
73 1.95 20
75 2.2 22
77 5.7 57
79 10.6 106
80 0.31 3
81 9.7 97
82 12.8 128
83 16.4 164
85 0.13 1
87 4.8 48
88 2.6 26
91 5.7 57
93 2.48 25
94 7.1 71
95 22.2 222
96 25.3 253
97 0.44 4
99 1.3 13
100 1.7 17
101 15.1 151
102 0.22 2
107 7.5 75
108 69.3 693
109 99.99 999
110 0.93 9
112 3.1 31
113 4.4 44
114 5.3 53
115 0.4 4
121 11.1 111
122 3.1 31
123 2.2 22
125 0.84 8
126 5.3 53
127 5.7 57
128 10.2 102
129 0.13 1
135 2.6 26
136 69.7 697
137 40.8 408
138 0.48 5
139 1.7 17
140 6.2 62
142 1.7 17
146 0.22 2
149 4 40
150 1.3 13
153 11.5 115
154 0.93 9
155 2.6 26
159 2.6 26
164 29.3 293
165 0.4 4
167 2.2 22
168 58.6 586
169 23.5 235
170 0.31 3
181 2.2 22
196 19.5 195
197 8.8 88
198 1.3 13
//