MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001724
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001724
RECORD_TITLE: UNDECANEDIOIC ACID DIMETHYL ESTER; CI-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$NAME: UNDECANEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O4
CH$EXACT_MASS: 244.16746
CH$SMILES: COC(=O)CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY
LADJFIHHYMBJHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90196587
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-03dj-0090000000-b601a1ef973ed9dde20d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
65 0.64 6
69 1.75 18
70 0.21 2
71 2.21 22
74 1.41 14
81 0.68 7
83 0.97 10
84 0.74 7
85 0.34 3
91 0.34 3
98 1.13 11
139 0.52 5
153 0.35 4
171 0.95 10
179 2.47 25
185 2.7 27
187 0.41 4
211 2.91 29
212 0.33 3
213 99.99 999
214 12.84 128
215 1.07 11
245 71.97 720
246 10.15 102
247 1.02 10
//