MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001744
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001744
RECORD_TITLE: DODECANEDIOIC ACID DIHEXYL 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$NAME: DODECANEDIOIC ACID DIHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H46O4
CH$EXACT_MASS: 398.33961
CH$SMILES: CCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C24H46O4/c1-3-5-7-17-21-27-23(25)19-15-13-11-9-10-12-14-16-20-24(26)28-22-18-8-6-4-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY
SPTBNOJZNIWTFY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90604455
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: splash10-01ot-8980000000-c3adafb27edbb1927405
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
42 15.58 156
43 17 170
44 14.92 149
56 33.36 334
57 20.23 202
69 17.94 179
71 14.05 141
83 18.98 190
84 48.63 486
85 18.5 185
97 15.36 154
98 58.4 584
101 9.66 97
111 17.44 174
112 23.76 238
115 14.4 144
125 17.36 174
129 39.11 391
138 9.38 94
139 11.55 116
141 0.22 2
143 22.58 226
152 6.31 63
153 19.86 199
157 18.79 188
166 13.05 131
171 20.28 203
185 70.9 709
186 5.91 59
199 0.35 4
207 1.36 14
213 99.99 999
214 11.37 114
227 5.55 56
241 10.13 101
255 26.11 261
256 4.47 45
269 34.91 349
270 8.25 83
281 2.61 26
297 90.74 907
298 14.72 147
//
system version 2.2.6-SNAPSHOT