MassBank Record: MSBNK-Waters-WA000102
ACCESSION: MSBNK-Waters-WA000102
RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Tralkoxydim (isomer2)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H27NO3
CH$EXACT_MASS: 329.19909
CH$SMILES: CCONC(CC)=C(C(=O)2)C(=O)CC(C2)c(c(C)1)c(C)cc(C)c1
CH$IUPAC: InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,21H,6-7,10-11H2,1-5H3/b20-16-
CH$LINK: CAS
87820-88-0
CH$LINK: INCHIKEY
SOTLWPHEAQOHHC-SILNSSARSA-N
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 330.3
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-9600000000-81e0792d821b8ff74563
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
53 8 8
55 24 24
56 8 8
64 8 8
67 204 204
68 55 55
70 12 12
72 486 486
73 8 8
77 8 8
79 8 8
82 137 137
83 12 12
84 27 27
91 20 20
93 63 63
95 999 999
98 486 486
99 8 8
104 39 39
107 31 31
110 176 176
111 27 27
113 24 24
116 8 8
118 16 16
120 67 67
121 157 157
123 35 35
126 8 8
130 16 16
133 106 106
134 12 12
135 67 67
138 556 556
139 43 43
143 8 8
145 63 63
147 24 24
149 16 16
152 94 94
153 8 8
156 12 12
158 12 12
164 35 35
166 43 43
169 8 8
170 20 20
173 27 27
181 8 8
183 8 8
186 8 8
194 8 8
197 8 8
207 24 24
209 16 16
210 8 8
213 8 8
224 16 16
226 12 12
228 8 8
235 8 8
242 8 8
250 8 8
252 16 16
267 12 12
284 8 8
//