ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003173
RECORD_TITLE: MESCALINE; 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$NAME: MESCALINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₇NO₃
CH$EXACT_MASS: 211.12084
CH$SMILES: NCCc(c1)cc(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
CH$LINK: INCHIKEY RHCSKNNOAZULRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80202303

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$SPLASH: splash10-03di-0090000000-1700e7a470fc359e88db
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  195 7 70
  212 99.99 999
  213 12 120
//