MassBank Record: JP010457



 ORTHO-FLUOROANISOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010457
RECORD_TITLE: ORTHO-FLUOROANISOLE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-FLUOROANISOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7FO CH$EXACT_MASS: 126.04809 CH$SMILES: COc(c1)c(F)ccc1 CH$IUPAC: InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 CH$LINK: INCHIKEY JIXDOBAQOWOUPA-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80A 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: splash10-0059-9600000000-350136586061a3e0d298 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 15 5.33 53 26 1.02 10 27 1.03 10 29 3.2 32 31 3.64 36 37 2.26 23 38 3.41 34 39 5.28 53 43 2.7 27 49 1.05 11 50 5.88 59 51 4.18 42 53 1.21 12 56 2.85 29 57 21.92 219 58 1.49 15 61 2.1 21 62 2.8 28 63 6.33 63 64 2.06 21 68 2.33 23 69 3.23 32 70 1.42 14 74 3.21 32 75 9.82 98 76 1.22 12 77 2.35 24 78 1.06 11 81 5.02 50 82 3.41 34 83 72.52 725 84 4.19 42 92 1.39 14 94 1.28 13 95 7.13 71 96 8.26 83 97 6.41 64 111 45.81 458 112 3.32 33 125 1.33 13 126 99.99 999 127 7.93 79 //