ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003168
RECORD_TITLE: ETHINAMATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHINAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₃NO₂
CH$EXACT_MASS: 167.09463
CH$SMILES: C#CC(C1)(CCCC1)OC(N)=O
CH$IUPAC: InChI=1S/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
CH$LINK: INCHIKEY GXRZIMHKGDIBEW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023013

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-0900000000-3530aac44af3672b4ea8
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  104 1 10
  107 44 440
  108 4 40
  118 6 60
  124 2 20
  125 99.99 999
  126 10 100
  163 5 50
  168 9 90
//