MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006652
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006652
RECORD_TITLE: 5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-2-PROPYL-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$NAME: 5-(2-(6-METHYL-3-PYRIDYL)ETHYL)-2-PROPYL-1,2,3,4-TETRAHYDRO-GAMMA-CARBOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H27N3
CH$EXACT_MASS: 333.22050
CH$SMILES: CCCC1CC2=C(CN1)C3=C(C=CC=C3N2)CCC4=CN=C(C=C4)C
CH$IUPAC: InChI=1S/C22H27N3/c1-3-5-18-12-21-19(14-24-18)22-17(6-4-7-20(22)25-21)11-10-16-9-8-15(2)23-13-16/h4,6-9,13,18,24-25H,3,5,10-12,14H2,1-2H3
CH$LINK: INCHIKEY
FSBHSYJCHDQPIT-UHFFFAOYSA-N
AC$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: splash10-06sl-0946000000-38f6c4588b398d4a6009
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
42 6.5 65
77 6.1 61
120 26.3 263
121 0.37 4
128 12.1 121
129 8.5 85
143 91.9 919
144 1.53 15
154 6.6 66
155 5.5 55
156 85.5 855
157 1.44 14
213 2.7 27
225 4.7 47
227 13.5 135
247 0.27 3
262 56.5 565
263 29 290
304 25.2 252
305 0.71 7
332 54.8 548
333 99.99 999
//