MassBank Record: MSBNK-Waters-WA000101
ACCESSION: MSBNK-Waters-WA000101
RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 330.3
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-2920000000-692e97c639a157046715
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
67 35 35
69 8 8
71 67 67
82 47 47
84 12 12
94 16 16
95 282 282
98 180 180
108 12 12
110 98 98
113 47 47
120 47 47
121 243 243
123 27 27
133 59 59
136 86 86
138 999 999
140 153 153
145 27 27
147 20 20
148 8 8
152 94 94
164 157 157
165 63 63
173 51 51
197 8 8
209 8 8
215 8 8
224 12 12
226 27 27
228 12 12
239 12 12
242 16 16
250 8 8
252 12 12
256 27 27
267 102 102
269 12 12
270 8 8
284 270 270
285 47 47
//