MassBank Record: JP011781



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

ACCESSION: JP011781
RECORD_TITLE: ORTHO-BROMOANISOLE; 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$NAME: ORTHO-BROMOANISOLE CH$NAME: 2-METHOXYBROMOBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7BrO CH$EXACT_MASS: 185.96803 CH$SMILES: COc(c1)c(Br)ccc1 CH$IUPAC: InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 CH$LINK: INCHIKEY HTDQSWDEWGSAMN-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$SPLASH: splash10-000i-5900000000-a7c241ec03f353869b71 PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 26 1.3 13 27 1.44 14 29 3.85 39 32 1.77 18 37 5.16 52 38 11.87 119 39 6.76 68 49 2.34 23 50 15.89 159 51 14.52 145 52 1.56 16 53 3.96 40 61 4.51 45 62 9.91 99 63 32.98 330 64 17.84 178 65 1.83 18 73 2.11 21 74 8.46 85 75 10.21 102 76 8.96 90 77 29.03 290 78 4.6 46 79 5.77 58 81 1.24 12 92 14.84 148 93 1.7 17 107 1.05 11 117 5.5 55 119 5.59 56 143 43.3 433 144 2.56 26 145 42.87 429 146 2.39 24 155 2.93 29 156 1.59 16 157 3.13 31 158 1.43 14 171 30.69 307 172 2.77 28 173 29.59 296 174 1.77 18 186 99.99 999 187 8.31 83 188 98.67 987 189 7.41 74 //