ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010812
RECORD_TITLE: NICOTINAMIDE; 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$NAME: NICOTINAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)cncc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020929

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$SPLASH: splash10-0kor-9800000000-c4a5ff5285417499eff8
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  44 11.88 119
  49 2.97 30
  50 17.02 170
  51 39.81 398
  52 16.8 168
  53 3.77 38
  75 2.15 22
  76 3.61 36
  77 10.48 105
  78 79.94 799
  79 9.07 91
  94 3.16 32
  104 7.86 79
  105 7.93 79
  106 66.13 661
  107 4.6 46
  122 99.99 999
  123 7.6 76
//