MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001004
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001004
RECORD_TITLE: META-FLUOROBENZOIC ACID; 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$NAME: META-FLUOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO2
CH$EXACT_MASS: 140.02736
CH$SMILES: OC(=O)c(c1)cc(F)cc1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY
MXNBDFWNYRNIBH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060020
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$SPLASH: splash10-00dm-9800000000-bcd947f71235a27b2fc8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 1 10
28 2.77 28
31 2.09 21
37 2.72 27
38 2.56 26
39 3.55 36
45 4.29 43
47.5 2.25 23
49 1.88 19
50 13.23 132
51 5.85 59
56 2.14 21
57 4.08 41
61 1.83 18
61.5 2.14 21
62 2.09 21
63 2.61 26
68 4.81 48
69 6.69 67
70 5.91 59
73 1.57 16
74 6.38 64
75 25.35 254
76 3.03 30
83 2.14 21
92 1.46 15
93 1.57 16
94 5.75 58
95 72.66 727
96 8.52 85
112 2.2 22
123 99.99 999
124 7.42 74
140 78.25 783
141 5.91 59
//