MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003872
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003872
RECORD_TITLE: CARBETHYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: CARBETHYL SALICYLATE
CH$NAME: BIS(2-ETHOXYCARBONYLPHENYL) CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18O7
CH$EXACT_MASS: 358.10525
CH$SMILES: CCOC(=O)c(c2)c(ccc2)OC(=O)Oc(c1)c(ccc1)C(=O)OCC
CH$IUPAC: InChI=1S/C19H18O7/c1-3-23-17(20)13-9-5-7-11-15(13)25-19(22)26-16-12-8-6-10-14(16)18(21)24-4-2/h5-12H,3-4H2,1-2H3
CH$LINK: INCHIKEY
QWWLHNFYJSCNGD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID50151990
AC$INSTRUMENT: Unknown
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: splash10-00r6-1900000000-d197fea1a998f59f198f
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
27 1.9 19
28 1.7 17
30 0.1 1
38 0.07 1
39 2.7 27
40 0.1 1
41 0.1 1
43 0.05 1
44 0.9 9
45 0.4 4
50 1.9 19
51 0.13 1
53 1.1 11
57 0.5 5
58 0.5 5
62 0.05 1
63 2.3 23
64 3.7 37
65 8.9 89
66 0.09 1
69 0.1 1
70 1.1 11
75 0.1 1
76 0.09 1
77 3.9 39
78 3.9 39
79 0.9 9
82 0.19 2
85 1.9 19
91 0.9 9
92 8.4 84
93 1.17 12
94 1.1 11
103 0.8 8
104 1.8 18
105 0.15 2
107 0.3 3
109 2.7 27
110 0.1 1
112 0.33 3
113 0.1 1
116 0.3 3
119 0.6 6
120 2.15 22
121 57.9 579
122 5.3 53
123 0.7 7
130 0.01 0
132 0.7 7
133 1.9 19
137 0.9 9
138 0.05 1
139 0.9 9
140 0.3 3
147 1 10
148 0.03 0
149 1 10
165 67.9 679
166 7.9 79
167 0.15 2
168 1.1 11
169 0.3 3
192 0.1 1
193 99.99 999
194 12.8 128
195 2 20
196 0.4 4
197 0.19 2
198 0.3 3
314 7.3 73
315 1.6 16
316 0.01 0
358 0.9 9
359 0.1 1
//