MassBank Record: WA001653



 Enoxolone; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001653
RECORD_TITLE: Enoxolone; LC-ESI-Q; MS; POS; 60 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$NAME: Enoxolone CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H46O4 CH$EXACT_MASS: 470.33961 CH$SMILES: C(C1(C)C(O)=O)C(C=52)([H])C(CCC2(C(C3([H])C(=O)C5)(C)CCC(C(C)(C)4)([H])C(C)3CCC(O)4)C)(C)CC1 CH$IUPAC: InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 CH$LINK: CAS 471-53-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 20.970 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0310910000-47bcabd0e69d7f42437f PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 105 8 8 107 8 8 109 20 20 113 55 55 119 12 12 121 27 27 122 8 8 123 27 27 134 8 8 135 59 59 137 12 12 139 16 16 149 24 24 161 24 24 173 24 24 175 27 27 177 27 27 179 12 12 184 12 12 187 12 12 189 102 102 191 35 35 199 16 16 201 8 8 207 12 12 213 8 8 215 8 8 217 55 55 218 8 8 219 8 8 221 16 16 235 82 82 236 12 12 245 12 12 263 39 39 264 12 12 299 8 8 317 47 47 318 8 8 407 16 16 425 20 20 426 8 8 454 16 16 471 999 999 472 313 313 473 59 59 509 106 106 510 31 31 511 12 12 512 24 24 513 8 8 534 8 8 547 16 16 550 24 24 551 8 8 //