MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001725
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001725
RECORD_TITLE: DODECANEDIOIC ACID DIMETHYL 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$NAME: DODECANEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O4
CH$EXACT_MASS: 258.18311
CH$SMILES: COC(=O)CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY
IZMOTZDBVPMOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0074390
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: splash10-0002-9300000000-f84a1b737b3571a95c91
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
40 6.81 68
43 20.63 206
57 2.49 25
69 25.91 259
74 46.45 465
83 13.31 133
84 49.75 498
85 6.97 70
87 10.92 109
97 15.95 160
98 99.99 999
111 13.83 138
112 24.13 241
135 12.62 126
141 1.7 17
153 28.03 280
185 28.58 286
227 17.11 171
//
system version 2.2.6-SNAPSHOT