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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005054

1,1,3,3,6-PENTAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005054
RECORD_TITLE: 1,1,3,3,6-PENTAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE; 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$NAME: 1,1,3,3,6-PENTAMETHYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22N2
CH$EXACT_MASS: 242.17830
CH$SMILES: CC1=CC=CC2=C1NC3=C2C(NC(C3)(C)C)(C)C
CH$IUPAC: InChI=1S/C16H22N2/c1-10-7-6-8-11-13-12(17-14(10)11)9-15(2,3)18-16(13,4)5/h6-8,17-18H,9H2,1-5H3
CH$LINK: INCHIKEY AVMPTADIBRWHBS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:614871

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-004i-0490000000-c85da59a4f7505aa69d2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  42 3.5 35
  98 3 30
  105 6.1 61
  106 0.4 4
  128 2.3 23
  144 3 30
  154 2.6 26
  168 0.33 3
  169 2.9 29
  170 7.3 73
  171 2.4 24
  184 0.49 5
  185 31.6 316
  186 6.1 61
  210 2.6 26
  211 0.56 6
  227 99.99 999
  228 17.3 173
  241 2.7 27
  242 10.7 107
//

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