ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009615
RECORD_TITLE: 3-CYANOPHENYL METHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 3-CYANOPHENYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: N#Cc(c1)cc(cc1)C(C)=O
CH$IUPAC: InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
CH$LINK: COMPTOX DTXSID50210273
CH$LINK: INCHIKEY SBCFGFDAZCTSRH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:80222
AC$INSTRUMENT: JEOL JMS-DX-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-7900000000-0e5bd24d5fe5169c90e8
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  26 1.6 16
  27 5 50
  29 1.5 15
  37 0.28 3
  38 4.8 48
  39 7.2 72
  42 5.8 58
  43 4.85 49
  44 1.8 18
  49 2.1 21
  50 18.8 188
  51 2.13 21
  52 5 50
  53 1 10
  61 2.4 24
  62 0.46 5
  63 5.8 58
  64 3 30
  65 1.6 16
  73 0.17 2
  74 8 80
  75 27.4 274
  76 19 190
  77 0.2 2
  87 1.5 15
  88 1.7 17
  89 2.9 29
  90 0.1 1
  99 2.5 25
  100 1.7 17
  101 2.5 25
  102 6.36 64
  103 7.2 72
  116 1.5 15
  128 1.8 18
  130 99.99 999
  131 9.4 94
  145 29.9 299
  146 3.5 35
//
