MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000194
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000194
RECORD_TITLE: PARA BROMO ISOBUTYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PARA BROMO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13BrO2
CH$EXACT_MASS: 256.00989
CH$SMILES: CC(C)COC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY
NQPBBLSKHPOXEU-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0a4i-9730000000-1685e4bc8a730ea96fa4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 3.7 37
29 8.33 83
39 3.62 36
41 14.49 145
43 3.16 32
44 1.16 12
50 9.95 100
51 1.77 18
55 3.47 35
56 99.99 999
57 7.63 76
65 1.16 12
73 2.31 23
74 2.93 29
75 15.34 153
76 15.81 158
77 3.01 30
104 1.93 19
155 15.88 159
156 1.23 12
157 15.81 158
183 62.07 621
184 4.78 48
185 60.14 601
186 4.63 46
200 11.57 116
201 21.43 214
202 13.03 130
203 20.89 209
204 1.54 15
//
system version 2.2.6-SNAPSHOT