MassBank Record: MSBNK-RIKEN_ReSpect-PT112370
ACCESSION: MSBNK-RIKEN_ReSpect-PT112370
RECORD_TITLE: Safranine, 2,8-Dimethylphenosafranine, 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine, Gossypimine, Tolusafranine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.
CH$NAME: Safranine
CH$NAME: 2,8-Dimethylphenosafranine
CH$NAME: 3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine
CH$NAME: Gossypimine
CH$NAME: Tolusafranine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Ethionine
CH$FORMULA: C20H19N4+
CH$EXACT_MASS: 315.4
CH$SMILES: CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4
CH$IUPAC: InChI=1S/C20H18N4/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17/h3-11H,1-2H3,(H3,21,22)/p+1
CH$LINK: CAS
477-73-6
CH$LINK: INCHIKEY
WULISCVZERSMML-UHFFFAOYSA-O
AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 315.16094
PK$SPLASH: splash10-014i-0069000000-a7cfcb7ae2abcff58320
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
210.1132 2148.0 233
237.1252 2428.0 263
238.1325 2361.0 256
299.143 2909.0 315
315.1609 9217.0 999
315.6059 2965.0 321
315.6922 2569.0 278
//
system version 2.2.8-SNAPSHOT