MassBank Record: JP000698



 4-HYDROXY-7-METHOXY-3-PHENYLCHROMAN (4D); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000698
RECORD_TITLE: 4-HYDROXY-7-METHOXY-3-PHENYLCHROMAN (4D); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-7-METHOXY-3-PHENYLCHROMAN (4D) CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H16O3 CH$EXACT_MASS: 256.10994 CH$SMILES: COc(c3)cc(O2)c(c3)C([2H])(O)C(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/i16D
AC$INSTRUMENT: JEOL JMS-06-H AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-2900000000-8e752802784c496c00c0 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 39 4.7 47 41 1.7 17 50 1.6 16 51 0.55 6 52 2.6 26 53 2.2 22 55 1.5 15 63 0.4 4 64 1.6 16 65 5.2 52 66 1 10 69 0.22 2 76 1.7 17 77 7.8 78 78 7.6 76 79 0.39 4 81 1.3 13 91 6.3 63 92 2.3 23 95 0.27 3 103 6.2 62 104 18.1 181 105 11.6 116 106 0.37 4 107 1.1 11 108 1.8 18 115 1.2 12 117 0.1 1 134 1.1 11 149 2.2 22 150 1.5 15 151 7.16 72 152 99.99 999 153 10.8 108 154 1.1 11 161 0.17 2 165 1.9 19 237 3.2 32 238 3.4 34 256 1.13 11 257 7.2 72 //