MassBank Record: JP003066



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

ACCESSION: JP003066
RECORD_TITLE: BROMODIPHENHYDRAMINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: BROMODIPHENHYDRAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H20BrNO CH$EXACT_MASS: 333.07283 CH$SMILES: CN(C)CCOC(c(c2)cccc2)c(c1)ccc(Br)c1 CH$IUPAC: InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-53342d9a3abac3e5c130 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 39 1.9 19 40 1.4 14 41 2.9 29 42 0.49 5 43 6.9 69 44 6.9 69 45 8.9 89 46 0.04 0 50 0.9 9 51 1.9 19 54 0.4 4 55 0.29 3 56 3.9 39 57 8.1 81 58 99.99 999 59 0.44 4 69 1.9 19 70 2.6 26 71 3.9 39 72 0.24 2 73 24.9 249 74 2.4 24 75 0.4 4 76 0.04 0 77 2.1 21 78 0.9 9 82 0.9 9 83 0.14 1 84 1.4 14 85 1.9 19 86 0.9 9 90 0.04 0 91 1.9 19 92 0.4 4 95 0.4 4 96 0.04 0 97 0.9 9 98 1.4 14 99 0.9 9 105 0.29 3 106 0.9 9 113 0.9 9 114 0.4 4 115 0.11 1 116 0.4 4 126 0.4 4 127 0.4 4 128 0.09 1 129 0.4 4 163 0.4 4 164 0.9 9 165 0.54 5 166 2.9 29 167 5.9 59 168 2.9 29 169 0.09 1 226 0.4 4 227 1.4 14 228 0.4 4 254 0.4 4 //