MassBank Record: JP002871



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

ACCESSION: JP002871
RECORD_TITLE: 2-HYDROXY-3-METHOXY 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$NAME: 2-HYDROXY-3-METHOXY MANDELONITRILE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9NO3 CH$EXACT_MASS: 179.05824 CH$SMILES: N#CC(O)c(c1)c(O)c(OC)cc1 CH$IUPAC: InChI=1S/C9H9NO3/c1-13-8-4-2-3-6(9(8)12)7(11)5-10/h2-4,7,11-12H,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: splash10-0zi0-7900000000-33e55af37d5f4244a9d8 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 26 8.14 81 27 74.86 749 29 3.84 38 39 10.21 102 50 6.1 61 51 9.53 95 52 10.71 107 53 19.2 192 55 10.37 104 62 2.01 20 63 9.32 93 64 4.36 44 65 7.72 77 76 12.03 120 77 5.81 58 78 8.42 84 79 4.54 45 80 3.03 30 81 20.55 206 90 5.2 52 92 6.36 64 93 5.43 54 103 3.69 37 104 3.23 32 105 9.23 92 106 50.66 507 107 7.52 75 108 8.73 87 109 23.14 231 120 4.32 43 121 6.13 61 122 12.39 124 123 5.13 51 131 3.79 38 133 3 30 134 2.67 27 136 5.29 53 137 2.83 28 151 22.58 226 152 99.99 999 153 8.48 85 161 11.26 113 179 7.8 78 //