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MassBank Record: WA001458

Heptaminol; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001458
RECORD_TITLE: Heptaminol; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 372-66-7
CH$LINK: INCHIKEY LREQLEBVOXIEOM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4048484

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 2.650 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-002b-0900000000-83e0608527a3c14a254d
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  83 16 16
  128 501 501
  129 43 43
  146 999 999
  147 86 86
//

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