MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007960
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007960
RECORD_TITLE: METHYL 10-OXOUNDECANOATE; 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$NAME: METHYL 10-OXOUNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O3
CH$EXACT_MASS: 214.15689
CH$SMILES: COC(=O)CCCCCCCCC(C)=O
CH$IUPAC: InChI=1S/C12H22O3/c1-11(13)9-7-5-3-4-6-8-10-12(14)15-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY
TXRMRSKJQBFMRQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40334093
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9500000000-57e2fcc41c4a57ed3e70
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
41 32.9 329
43 99.99 999
55 39.6 396
58 3.73 37
69 16 160
74 16.5 165
83 17.8 178
87 2.09 21
97 28.9 289
98 9.8 98
107 3.6 36
111 0.49 5
124 16 160
125 50.7 507
139 4.5 45
144 0.31 3
156 12 120
157 43.6 436
171 2.2 22
172 0.22 2
183 20.9 209
184 3.1 31
199 3.1 31
214 1.69 17
215 3.1 31
//
system version 2.2.8-SNAPSHOT