MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001005
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001005
RECORD_TITLE: META-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$NAME: META-FLUOROBENZOIC ACID ETHYL ESTER
CH$NAME: ETHYL META-FLUOROBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9FO2
CH$EXACT_MASS: 168.05866
CH$SMILES: CCOC(=O)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C9H9FO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
CH$LINK: COMPTOX
DTXSID6060004
CH$LINK: INCHIKEY
SMMIKBXLEWTSJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:67975
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-00di-6900000000-9a5de1c782e7fc6a8261
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 6.62 66
28 2.77 28
29 9.8 98
45 7.76 78
50 3.88 39
51 2.48 25
68 1.34 13
69 2.86 29
74 1.65 17
75 15.78 158
76 1.27 13
94 2.67 27
95 48.54 485
96 4.71 47
123 99.99 999
124 9.16 92
140 33.84 338
141 2.54 25
150 2.04 20
153 1.78 18
168 10.31 103
169 0.76 8
//