MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000998

PARA-CYANOBENZOIC ACID; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000998
RECORD_TITLE: PARA-CYANOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-CYANOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5NO2
CH$EXACT_MASS: 147.03203
CH$SMILES: N#Cc(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)
CH$LINK: INCHIKEY ADCUEPOHPCPMCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9041659

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0f8a-3900000000-418d21ad5a0f6a34519d
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.2 22
  28 4.62 46
  37 1.81 18
  38 1.98 20
  39 2.86 29
  45 2.58 26
  50 14.45 145
  51 12.42 124
  52 2.69 27
  63 2.03 20
  64 1.37 14
  65 2.64 26
  74 3.57 36
  75 17.03 170
  76 14.78 148
  77 1.15 12
  101 1.43 14
  102 51.87 519
  103 5.16 52
  119 3.02 30
  120 3.57 36
  130 99.99 999
  131 8.24 82
  147 55.27 553
  148 4.4 44
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo