MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001001
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001001
RECORD_TITLE: PARA-FLUOROBENZOIC ACID ETHYL ESTER; 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$NAME: PARA-FLUOROBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL PARA-FLUOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9FO2
CH$EXACT_MASS: 168.05866
CH$SMILES: CCOC(=O)c(c1)ccc(F)c1
CH$IUPAC: InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY
UMPRJGKLMUDRHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6060006
AC$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-5900000000-77d87ae4890959208fbc
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 3 30
28 10.38 104
29 3.83 38
32 2.11 21
45 3.33 33
50 2.89 29
51 1.78 18
68 1.16 12
69 2.22 22
74 1.16 12
75 13.21 132
76 1.11 11
94 2.22 22
95 36.63 366
96 2.83 28
123 99.99 999
124 9.04 90
140 27.75 278
141 2.66 27
153 1.17 12
167 1.11 11
168 8.27 83
169 1.11 11
//
system version 2.2.6-SNAPSHOT