ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY VHGYYIXSLHYRBH-UHFFFAOYSA-N
AC$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
//
