MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001003
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001003
RECORD_TITLE: ORTHO-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$NAME: ORTHO-FLUOROBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5FO2
CH$EXACT_MASS: 140.02736
CH$SMILES: OC(=O)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
CH$LINK: INCHIKEY
NSTREUWFTAOOKS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1060001
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$SPLASH: splash10-00dl-7900000000-5f127250a62e47ac459c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 1.06 11
31 1.41 14
37 2.18 22
38 2.04 20
39 3.38 34
45 3.03 30
50 11.62 116
51 4.79 48
56 1.97 20
57 2.82 28
61 1.41 14
61.5 2.18 22
62 1.55 16
63 2.75 28
64 2.18 22
65 1.27 13
68 4.23 42
69 5.49 55
70 4.79 48
74 5.49 55
75 20.99 210
76 6.13 61
92 3.38 34
93 2.04 20
94 3.73 37
95 46.55 466
96 5.7 57
112 1.41 14
120 2.11 21
123 99.99 999
124 7.54 75
140 69.01 690
141 7.04 70
//