MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000191
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000191
RECORD_TITLE: ORTHO IODO 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$NAME: ORTHO IODO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13IO2
CH$EXACT_MASS: 303.99602
CH$SMILES: CC(C)COC(=O)c(c1)c(I)ccc1
CH$IUPAC: InChI=1S/C11H13IO2/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY
IZXVGIVNILXQPP-UHFFFAOYSA-N
AC$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: splash10-0f9t-8090000000-ebe750b2a3fa8be8433a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 7.62 76
29 21.78 218
39 8.97 90
41 26.16 262
43 5.26 53
50 23.6 236
51 4.18 42
55 4.05 41
56 18.54 185
57 8.97 90
65 4.05 41
73 1.55 16
74 4.59 46
75 7.01 70
76 54.62 546
77 8.97 90
78 1.35 14
93 3.64 36
104 10.79 108
105 4.18 42
121 4.72 47
203 22.86 229
204 1.48 15
231 93.93 939
232 7.35 74
248 99.99 999
249 11.67 117
250 0.81 8
304 6.95 70
305 0.81 8
//