MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000190
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000190
RECORD_TITLE: ORTHO 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$NAME: ORTHO BROMO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13BrO2
CH$EXACT_MASS: 256.00989
CH$SMILES: CC(C)COC(=O)c(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C11H13BrO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY
SCIFVEGBPQFBFK-UHFFFAOYSA-N
AC$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: splash10-0zgr-5940000000-5e20f3af199150098b9d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 3.88 39
29 8.9 89
39 4.9 49
41 15.32 153
43 3.24 32
50 9.54 95
51 2.29 23
55 3.12 31
56 49.9 499
57 5.72 57
73 2.42 24
74 2.67 27
75 17.04 170
76 20.03 200
77 4.64 46
104 3.81 38
105 1.34 13
155 23.08 231
156 1.97 20
157 23.59 236
158 1.53 15
159 1.21 12
183 99.99 999
184 7.82 78
185 97.27 973
186 7.57 76
200 17.99 180
201 50.92 509
202 21.55 216
203 49.71 497
204 3.56 36
//