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MassBank Record: JP004990

P-ANISALDEHYDE DIMETHYLACETAL; EI-B; MS

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

ACCESSION: JP004990
RECORD_TITLE: P-ANISALDEHYDE 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$NAME: P-ANISALDEHYDE DIMETHYLACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O3
CH$EXACT_MASS: 182.09429
CH$SMILES: COc(c1)ccc(c1)C(OC)OC
CH$IUPAC: InChI=1S/C10H14O3/c1-11-9-6-4-8(5-7-9)10(12-2)13-3/h4-7,10H,1-3H3
CH$LINK: CAS 2186-92-7
CH$LINK: INCHIKEY NNHYAHOTXLASEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062239

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$SPLASH: splash10-0udi-2900000000-cbe4c3b3e0856695af93
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  47 1.18 12
  50 2.37 24
  51 4.63 46
  53 0.97 10
  59 1.61 16
  63 3.2 32
  64 3.51 35
  65 4.13 41
  74 1.21 12
  75 5.34 53
  76 1.94 19
  77 10.83 108
  78 2.77 28
  79 1.49 15
  91 3.42 34
  92 5.39 54
  93 1.02 10
  107 3.87 39
  108 5.01 50
  121 1.44 14
  135 34.79 348
  136 18.97 190
  137 1.94 19
  151 99.99 999
  152 10.09 101
  166 1.99 20
  182 5.67 57
//

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