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MassBank Record: MSJ00065

Triethanolamine; FAB-BE; MS; Negative; Matrix Triethanolamine

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

ACCESSION: MSJ00065
RECORD_TITLE: Triethanolamine; FAB-BE; MS; Negative; Matrix Triethanolamine
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$NAME: Triethanolamine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C6H15NO3
CH$EXACT_MASS: 149.10519
CH$SMILES: OCCN(CCO)CCO
CH$IUPAC: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
CH$LINK: CHEMSPIDER 13835630
CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7618
CH$LINK: COMPTOX DTXSID9021392

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$MASS_SPECTROMETRY: MATRIX Triethanolamine
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING 2000
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 1, 2000

PK$SPLASH: splash10-0002-1920000000-cfa246a29ec08fbaf29b
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  16 15808 7
  17 42368 20
  25 21632 10
  26 81152 38
  41 16384 8
  43 120960 57
  45 11776 6
  56 11136 5
  68 39808 19
  70 31488 15
  82 12736 6
  86 20736 10
  98 24832 12
  100 30208 14
  101 21120 10
  102 15296 7
  104 14080 7
  112 59456 28
  117 36928 17
  128 21696 10
  130 81152 38
  132 32640 15
  144 13056 6
  145 15936 7
  146 307136 143
  147 98688 46
  148 2138560 999
  149 143232 67
  150 25344 12
  162 65856 31
  164 153856 72
  175 123712 58
  176 16320 8
  179 15808 7
  191 22848 11
  192 62656 29
  194 45376 21
  206 11648 5
  227 15104 7
  253 19712 9
  255 12992 6
  265 12416 6
  266 18176 8
  281 26304 12
  295 70464 33
  296 48000 22
  297 610240 285
  298 87296 41
  299 16192 8
  311 19328 9
  313 92928 43
  314 12864 6
  446 26816 13
//

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