MassBank Record: JP002873



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

ACCESSION: JP002873
RECORD_TITLE: 3-METHOXY-4-HYDROXY MANDELONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHOXY-4-HYDROXY MANDELONITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO3 CH$EXACT_MASS: 179.05824 CH$SMILES: N#CC(O)c(c1)cc(OC)c(O)c1 CH$IUPAC: InChI=1S/C9H9NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,1H3
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: splash10-0udi-7900000000-cb0cdace077f73199e15 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 26 10.17 102 27 93.55 936 29 4.87 49 39 8.36 84 50 4.68 47 51 10.66 107 52 10.82 108 53 12.63 126 55 2.5 25 62 2.74 27 63 4.96 50 65 8.23 82 77 4.56 46 79 4.4 44 80 2.99 30 81 21.63 216 93 3.14 31 108 6.4 64 109 15.12 151 123 19.54 195 124 2.36 24 137 6.81 68 151 98.06 981 152 99.99 999 153 9.78 98 162 7.08 71 179 5.08 51 //