ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004987
RECORD_TITLE: P-CYANOBENZALDEHYDE DIMETHYLACETAL; 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$NAME: P-CYANOBENZALDEHYDE DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO₂
CH$EXACT_MASS: 177.07898
CH$SMILES: N#Cc(c1)ccc(c1)C(OC)OC
CH$IUPAC: InChI=1S/C10H11NO2/c1-12-10(13-2)9-5-3-8(7-11)4-6-9/h3-6,10H,1-2H3
CH$LINK: INCHIKEY KAIKLOZUJNGBNP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70544603

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0002-1900000000-ad0fe4754b872ecf4203
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  47 0.95 10
  50 1.47 15
  51 1.93 19
  59 1.74 17
  74 1.36 14
  75 7.86 79
  76 2.89 29
  77 1.06 11
  89 1 10
  91 3.65 37
  102 8.93 89
  103 1.69 17
  116 6.32 63
  117 1.81 18
  118 2.14 21
  130 8.33 83
  131 1.79 18
  146 99.99 999
  147 10.81 108
  176 1.26 13
  177 0.98 10
//