MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001387

N-VANILLYLNONANAMIDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001387
RECORD_TITLE: N-VANILLYLNONANAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: N-VANILLYLNONANAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₇NO₃
CH$EXACT_MASS: 293.19909
CH$SMILES: CCCCCCCCC(=O)NCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)
CH$LINK: INCHIKEY RGOVYLWUIBMPGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1034769

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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 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-000i-0900000000-6f2029bbeaa0669340a0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  72 1.1 11
  110 1 10
  122 2.7 27
  124 0.14 1
  136 5.1 51
  137 99.99 999
  138 14.2 142
  139 0.14 1
  150 2.8 28
  151 24.5 245
  152 11.6 116
  153 0.4 4
  164 1.6 16
  178 3.8 38
  194 2.4 24
  195 3.6 36
  196 3.9 39
  208 2.7 27
  294 7.4 74
//