ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006621
RECORD_TITLE: 1,1,3,3-TETRAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE-5-PROPIONIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,3,3-TETRAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE-5-PROPIONIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄N₂O₂
CH$EXACT_MASS: 300.18378
CH$SMILES: OC(=O)CCn(c21)c(C3)c(C(C)(C)NC(C)(C)3)c(cccc2)1
CH$IUPAC: InChI=1S/C18H24N2O2/c1-17(2)11-14-16(18(3,4)19-17)12-7-5-6-8-13(12)20(14)10-9-15(21)22/h5-8,19H,9-11H2,1-4H3,(H,21,22)
CH$LINK: INCHIKEY YEBNHDNLTDDSCG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:625267

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000i-0090000000-52c9382186c2c245f2fd
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42 4.4 44
  43 1.8 18
  82 2.6 26
  105 1.37 14
  128 1.6 16
  162 1.9 19
  168 3.1 31
  184 0.5 5
  243 9.3 93
  244 1.9 19
  285 99.99 999
  286 1.58 16
  299 1.1 11
  300 5.4 54
//