MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000192
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000192
RECORD_TITLE: PARA FLUORO 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$NAME: PARA FLUORO ISOBUTYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13FO2
CH$EXACT_MASS: 196.08996
CH$SMILES: CC(C)COC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C11H13FO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
CH$LINK: INCHIKEY
IGYANOACLVBRGX-UHFFFAOYSA-N
AC$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: splash10-00di-9700000000-c42cefa0da4a3d5d8ea2
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 6.01 60
29 7.13 71
39 7.04 70
41 14.6 146
43 2.75 28
50 3.69 37
51 2.15 22
55 2.06 21
56 37.8 378
57 3.35 34
68 1.12 11
69 2.58 26
74 1.72 17
75 19.76 198
76 1.37 14
94 2.66 27
95 43.64 436
96 2.58 26
97 2.15 22
123 99.99 999
124 6.96 70
140 1.2 12
141 20.62 206
142 1.29 13
//
system version 2.2.6-SNAPSHOT