MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009504
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009504
RECORD_TITLE: ETHYL 3-BROMOPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 3-BROMOPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9BrO2
CH$EXACT_MASS: 179.97859
CH$SMILES: CCOC(=O)CCBr
CH$IUPAC: InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
CH$LINK: CAS
539-74-2
CH$LINK: COMPTOX
DTXSID9060235
CH$LINK: INCHIKEY
FQTIYMRSUOADDK-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:68320
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-9200000000-fc5bfcf02d6f8306f710
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
14 5.32 53
15 13.05 131
25 2.14 21
26 39.83 398
27 99.99 999
28 49.43 494
29 70.84 708
30 10.34 103
31 4.09 41
41 1.84 18
42 7.15 72
43 11.72 117
44 1.91 19
45 10.79 108
53 1.68 17
55 9.67 97
56 2.06 21
73 12.45 125
79 4.91 49
80 1.76 18
81 5.12 51
82 1.84 18
93 2.33 23
95 1.77 18
101 6.5 65
106 1.62 16
107 18.34 183
108 2.14 21
109 15.18 152
135 9.73 97
137 10.44 104
152 17.63 176
153 1.07 11
154 17.14 171
155 1.13 11
180 1.15 12
182 1.02 10
//