MassBank Record: WA001120



 Pholcodine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001120
RECORD_TITLE: Pholcodine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Pholcodine CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H30N2O4 CH$EXACT_MASS: 398.22056 CH$SMILES: O(C6)CCN(C6)CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1 CH$IUPAC: InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1 CH$LINK: CAS 509-67-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.600 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0901000000-4d3ee6d9cd22e5945239 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 100 39 39 112 47 47 114 999 999 115 51 51 118 8 8 126 8 8 130 8 8 141 8 8 144 8 8 152 8 8 153 8 8 162 12 12 180 8 8 181 12 12 200 39 39 216 8 8 221 35 35 267 12 12 268 8 8 270 8 8 381 51 51 382 8 8 399 184 184 400 35 35 //