MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007746
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007746
RECORD_TITLE: ETHYL 2-FUROATE; 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$NAME: ETHYL 2-FUROATE
CH$NAME: 2-FURANCARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O3
CH$EXACT_MASS: 140.04734
CH$SMILES: CCOC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
CH$LINK: CAS
614-99-3
CH$LINK: COMPTOX
DTXSID0060640
CH$LINK: INCHIKEY
NHXSTXWKZVAVOQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11980
AC$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: splash10-0002-9400000000-f54c56863f6b3e469199
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 2.01 20
29 12.1 121
39 16.67 167
40 3.96 40
41 1 10
42 1.96 20
45 30.03 300
51 1 10
53 1.01 10
55 2.03 20
56 1.01 10
67 5.54 55
68 33.92 339
69 1 10
81 1.03 10
84 8.03 80
94 1.02 10
95 99.99 999
96 52.82 528
97 9.92 99
112 70.83 708
113 13.92 139
114 1.02 10
125 2.98 30
140 53.89 539
141 8.56 86
//