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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011097

(3,4-DIMETHOXYPHENYL)ACETONITRILE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011097
RECORD_TITLE: (3,4-DIMETHOXYPHENYL)ACETONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (3,4-DIMETHOXYPHENYL)ACETONITRILE
CH$NAME: HOMOVERATRONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11NO2
CH$EXACT_MASS: 177.07898
CH$SMILES: N#CCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
CH$LINK: CAS 93-17-4
CH$LINK: INCHIKEY ASLSUMISAQDOOB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30239220

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-004i-4900000000-bb83e5e2e813f65acdd4
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 5.65 57
  29 1.37 14
  31 1.14 11
  38 1.58 16
  39 3.78 38
  50 2.55 26
  51 6.05 61
  52 1.3 13
  53 1.67 17
  62 1.71 17
  63 6.59 66
  64 6.51 65
  65 7.58 76
  66 1.44 14
  75 1.53 15
  76 3.64 36
  77 8.43 84
  78 2.73 27
  79 6.48 65
  89 3.04 30
  90 2.89 29
  91 7.46 75
  92 1.41 14
  94 14.32 143
  95 1.01 10
  102 1.26 13
  103 2.58 26
  104 2.18 22
  105 4.9 49
  106 4.84 48
  107 22.97 230
  108 2.16 22
  116 6.86 69
  119 4.26 43
  130 1.58 16
  131 1.24 12
  132 1.06 11
  134 10 100
  135 1.71 17
  146 4.98 50
  151 1.54 15
  160 1.06 11
  161 1.64 16
  162 30.61 306
  163 3.31 33
  176 1.38 14
  177 99.99 999
  178 11.66 117
//

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