MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005054
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
//