MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009505
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009505
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: INCHIKEY
FQTIYMRSUOADDK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060235
AC$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 30 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fb9-8900000000-fbb2112ee894f1ecc5e0
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 2.67 27
26 6.43 64
27 48.15 482
28 34.45 345
29 99.99 999
30 3.51 35
31 6.75 68
32 2.67 27
41 3.02 30
42 1.93 19
43 5.95 60
44 1.5 15
45 19.82 198
55 13.76 138
56 3.23 32
73 34.07 341
74 1.36 14
80 1.2 12
82 1.17 12
101 21.13 211
102 1.26 13
106 2.52 25
107 39.57 396
108 5.34 53
109 37.9 379
110 3.02 30
135 33.07 331
136 1.33 13
137 32.3 323
138 1.1 11
152 63.25 633
153 3.72 37
154 62.21 622
155 3.49 35
180 3.93 39
182 3.84 38
//