ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009495
RECORD_TITLE: ALPHA-PICOLINAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-PICOLINAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O
CH$EXACT_MASS: 122.04801
CH$SMILES: NC(=O)c(c1)nccc1
CH$IUPAC: InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061703

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0fb9-9100000000-589b1ae7c14f930b3d31
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  16 4.05 41
  18 1.27 13
  26 7 70
  27 7.73 77
  28 7.11 71
  29 1.33 13
  37 2.94 29
  38 4.43 44
  39 6.82 68
  40 1.28 13
  41 1.05 11
  43 4.19 42
  44 32.19 322
  49 4.05 41
  50 19.59 196
  51 34.84 348
  52 39.86 399
  53 5.54 55
  67 1.21 12
  75 3.67 37
  76 4.99 50
  77 3.14 31
  78 36.12 361
  79 99.99 999
  80 6.1 61
  106 1.7 17
  122 34.57 346
  123 7.26 73
//