ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010961
RECORD_TITLE: 5-CYANO-2-METHOXYTROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-CYANO-2-METHOXYTROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇NO₂
CH$EXACT_MASS: 161.04768
CH$SMILES: N#CC(C=1)=CC=C(OC)C(=O)C1
CH$IUPAC: InChI=1S/C9H7NO2/c1-12-9-5-3-7(6-10)2-4-8(9)11/h2-5H,1H3
CH$LINK: INCHIKEY DIFRASFURGHFIU-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-01q9-5900000000-2d28c5f6018131535e60
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  32 10.79 108
  37 11.17 112
  38 8.39 84
  39 19.41 194
  41 5.04 50
  43 5.67 57
  49 6.34 63
  50 9.09 91
  51 8.48 85
  57 6.2 62
  62 9.32 93
  63 27.25 273
  64 26.44 264
  75 7.85 79
  76 9.7 97
  84 6.04 60
  90 43.08 431
  102 19.21 192
  103 37.08 371
  104 15.23 152
  105 5.21 52
  115 15.26 153
  118 6.64 66
  130 87.3 873
  131 20.36 204
  132 30.22 302
  133 27.56 276
  161 99.99 999
  162 1.02 10
//