ACCESSION: MSBNK-Waters-WA001456
RECORD_TITLE: Heptaminol; 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: 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 0.000 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 60 V

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

PK$SPLASH: splash10-0032-4900000000-eb77632f96f6ff6535b6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  77 8 8
  79 8 8
  80 172 172
  82 623 623
  83 82 82
  84 8 8
  87 8 8
  90 8 8
  94 8 8
  95 12 12
  96 20 20
  98 8 8
  105 8 8
  110 8 8
  111 24 24
  112 8 8
  113 8 8
  117 20 20
  128 686 686
  129 59 59
  134 8 8
  140 16 16
  146 999 999
  147 63 63
  167 8 8
  168 8 8
//