ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY DDYGYEKJAPMJTE-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0zi0-7900000000-33e55af37d5f4244a9d8
PK$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
//
