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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010818

N-ACETYL-ORTHO-ANISIDINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010818
RECORD_TITLE: N-ACETYL-ORTHO-ANISIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-ORTHO-ANISIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO2
CH$EXACT_MASS: 165.07898
CH$SMILES: COc(c1)c(ccc1)NC(C)=O
CH$IUPAC: InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY FGOFNVXHDGQVBG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0052623

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$SPLASH: splash10-0avi-4900000000-1590231552aa3f983e0c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  42 2.62 26
  43 33.72 337
  50 2.62 26
  51 6.78 68
  52 11.69 117
  53 5.65 57
  57 1.03 10
  62 1.06 11
  63 3.57 36
  64 2.74 27
  65 10.78 108
  66 1.58 16
  77 3.63 36
  78 3.57 36
  79 2.53 25
  80 22.84 228
  81 1.67 17
  91 1.4 14
  92 6.1 61
  93 2.56 26
  94 1.95 20
  95 1.95 20
  105 1.19 12
  106 1.06 11
  108 99.99 999
  109 7.26 73
  120 1.34 13
  122 1.28 13
  123 89.18 892
  124 7.45 75
  133 1.86 19
  134 1.25 13
  149 1.89 19
  165 63.5 635
  166 6.5 65
//

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