MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006170
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006170
RECORD_TITLE: DIETHYL CARBONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O3
CH$EXACT_MASS: 118.06299
CH$SMILES: CCOC(=O)OCC
CH$IUPAC: InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY
OIFBSDVPJOWBCH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3025041
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$SPLASH: splash10-005a-9000000000-100aa02bc2d8a6c14304
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
27 14.4 144
28 12.47 125
29 99.99 999
30 2.47 25
31 82.04 820
41 1.86 19
43 2.13 21
45 79.66 797
46 2.37 24
47 3.38 34
59 2.31 23
63 9.57 96
91 12.33 123
118 0.96 10
//
system version 2.2.6-SNAPSHOT