ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009547
RECORD_TITLE: 4-HYDROXYISONICOTINIC ACID; 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$NAME: 4-HYDROXYISONICOTINIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅NO₃
CH$EXACT_MASS: 139.02694
CH$SMILES: OC(=O)c(c1)c(O)ccn1
CH$IUPAC: InChI=1S/C6H5NO3/c8-5-1-2-7-3-4(5)6(9)10/h1-3H,(H,7,8)(H,9,10)
CH$LINK: INCHIKEY CHCUBGPSZDGABM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80976370

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$SPLASH: splash10-000e-9000000000-653b27f096dafbef38cb
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  18 1.73 17
  26 2.2 22
  27 3.12 31
  28 22.24 222
  29 2.88 29
  36 1.17 12
  37 7.92 79
  38 15.42 154
  39 32.76 328
  40 10.8 108
  41 7.75 78
  42 1.51 15
  44 2.73 27
  45 9.45 95
  49 2.23 22
  50 5.54 55
  51 3.97 40
  52 2.91 29
  53 5.16 52
  54 1.47 15
  55 2.92 29
  61 1.09 11
  63 1.48 15
  64 3.72 37
  65 9.62 96
  66 17.97 180
  67 24.17 242
  68 3 30
  76 1.13 11
  77 3.14 31
  93 25.15 252
  94 26.65 267
  95 99.99 999
  96 5.76 58
  121 3.94 39
  122 7.78 78
  139 24.97 250
  140 3.49 35
//