MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007271
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007271
RECORD_TITLE: METHYL 5-BENZYLOXY-3-OXOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 5-BENZYLOXY-3-OXOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O4
CH$EXACT_MASS: 236.10486
CH$SMILES: COC(=O)CC(=O)CCOCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O4/c1-16-13(15)9-12(14)7-8-17-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
CH$LINK: INCHIKEY
ADHIZSXYKLZVOR-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-0900000000-38aed5d5c86229d29bd2
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
55 2.4 24
70 2.4 24
78 2.2 22
79 2.35 24
80 4.2 42
90 3.2 32
105 2.3 23
106 0.91 9
107 23.5 235
108 99.99 999
109 20.5 205
116 0.27 3
117 2 20
130 27.3 273
159 1.9 19
218 0.16 2
219 2.6 26
//
system version 2.2.8-SNAPSHOT