MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006168
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006168
RECORD_TITLE: ALPHA-BROMOPROPIONIC ACID ETHYL ESTER; 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$NAME: ALPHA-BROMOPROPIONIC ACID ETHYL ESTER
CH$NAME: ETHYL 2-BROMOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9BrO2
CH$EXACT_MASS: 179.97859
CH$SMILES: CCOC(=O)C(C)Br
CH$IUPAC: InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
CH$LINK: INCHIKEY
ARFLASKVLJTEJD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90871746
AC$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: splash10-004i-9100000000-cd736fd194f13d58c3e8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 25.36 254
28 14.23 142
29 99.99 999
30 2.1 21
31 1.26 13
41 5.15 52
45 5.71 57
55 2.52 25
56 3.99 40
57 13.09 131
73 1.24 12
106 1.51 15
107 9.04 90
109 8.32 83
110 2.62 26
135 1.19 12
137 1.19 12
180 0.73 7
182 0.65 7
//