ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003187
RECORD_TITLE: TALBUTAL; 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$NAME: TALBUTAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆N₂O₃
CH$EXACT_MASS: 224.11609
CH$SMILES: C=CCC(C(C)CC)(C(=O)1)C(=O)NC(=O)N1
CH$IUPAC: InChI=1S/C11H16N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)
CH$LINK: INCHIKEY BJVVMKUXKQHWJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023630

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$SPLASH: splash10-004i-0090000000-603a585be8f03eb2145e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  167 4 40
  169 5 50
  185 1 10
  195 2 20
  209 3 30
  225 99.99 999
  226 14 140
  227 2 20
//