MassBank Record: WA001455



 Heptaminol; 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: WA001455
RECORD_TITLE: Heptaminol; 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$NAME: Heptaminol CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H19NO CH$EXACT_MASS: 145.14666 CH$SMILES: CC(N)CCCC(C)(C)O CH$IUPAC: InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 CH$LINK: CAS 372-66-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 2.650 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: splash10-0032-4900000000-047d77f8091e0e963cd8 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 77 8 8 79 8 8 80 541 541 81 31 31 82 266 266 83 24 24 84 20 20 91 20 20 95 12 12 96 8 8 111 12 12 112 8 8 114 8 8 115 20 20 128 564 564 129 39 39 132 12 12 146 999 999 147 59 59 152 12 12 155 27 27 168 8 8 //