ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003200
RECORD_TITLE: METHYL P-AMINOSALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL P-AMINOSALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₃
CH$EXACT_MASS: 167.05824
CH$SMILES: COC(=O)c(c1)c(O)cc(N)c1
CH$IUPAC: InChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3
CH$LINK: INCHIKEY QQOXBFUTRLDXDP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80194310

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-000i-3900000000-130c2a52982dda9e74a7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39 5 50
  51 7 70
  52 12 120
  53 10 100
  68 8 80
  78 7.5 75
  79 38 380
  80 16 160
  107 42 420
  108 6 60
  135 99.99 999
  136 46 460
  137 5 50
  167 67 670
  168 7 70
//