ACCESSION: MSBNK-MSSJ-MSJ00063
RECORD_TITLE: Diethanolamine; FAB-BE; MS; Negative; Matrix Diethanolamine
DATE: 2018.02.01
AUTHORS: Rika Miyake, Graduate School of Engineering Science, Osaka University
LICENSE: CC BY
COPYRIGHT: Rika Miyake, Graduate School of Engineering Science, Osaka University
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
COMMENT: Sample was injected by flow injection

CH$NAME: Diethanolamine
CH$NAME: 2,2'-Dihydroxydiethylamine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₄H₁₁NO₂
CH$EXACT_MASS: 105.07898
CH$SMILES: OCCNCCO
CH$IUPAC: InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
CH$LINK: CHEMSPIDER 13835604
CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8113
CH$LINK: COMPTOX DTXSID3021932

AC$INSTRUMENT: JMS-700, JEOL
AC$INSTRUMENT_TYPE: FAB-BE
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION FAB
AC$MASS_SPECTROMETRY: LASER Xe 6 keV
AC$MASS_SPECTROMETRY: MATRIX Diethanolamine
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000

PK$SPLASH: splash10-0zfr-1950000000-443f4386cb6b8b6c8c9f
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  16 2024 7
  17 6568 24
  25 2824 10
  26 19384 70
  40 1608 6
  41 5048 18
  42 4744 17
  43 11704 42
  45 2856 10
  54 2008 7
  56 8552 31
  57 3048 11
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  74 3464 13
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  103 3096 11
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  107 12216 44
  116 1832 7
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//