MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001749
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001749
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID (BUTOXYCARBONYLMETHYL) BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID (BUTOXYCARBONYLMETHYL) BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H24O6
CH$EXACT_MASS: 336.15729
CH$SMILES: CCCCOC(=O)COC(=O)c(c1)c(ccc1)C(=O)OCCCC
CH$IUPAC: InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3
CH$LINK: INCHIKEY
GOJCZVPJCKEBQV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023938
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052b-7930000000-ffddf01f8e2f4d2f306d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
4 18.27 183
29 9.37 94
41 12.32 123
42 1.93 19
43 1.92 19
44 0.34 3
49 1.45 15
55 2.5 25
56 18.67 187
57 34.9 349
58 1.27 13
60 2.14 21
61 1.31 13
65 0.27 3
73 0.52 5
76 0.63 6
77 35.1 351
78 0.71 7
87 0.34 3
93 0.8 8
101 0.3 3
104 6.42 64
105 5.97 60
106 0.53 5
114 0.13 1
121 1.56 16
122 1.34 13
123 0.43 4
132 6.75 68
133 24.9 249
134 1.72 17
135 0.56 6
147 0.1 1
148 0.14 1
149 99.99 999
150 11.43 114
151 1.31 13
157 0.24 2
160 2.42 24
161 0.32 3
162 1.01 10
163 0.7 7
203 0.23 2
204 0.29 3
205 4.61 46
206 0.73 7
207 9.23 92
208 1.12 11
209 0.11 1
263 40.02 400
264 5.76 58
265 0.81 8
281 0.89 9
282 0.11 1
336 0.22 2
//