MassBank Record: MSBNK-MSSJ-MSJ00063
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
58 2680 10
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72 7016 25
74 3464 13
84 3528 13
86 9528 35
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100 3496 13
101 7592 28
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103 3096 11
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116 1832 7
118 5880 21
120 1448 5
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149 2456 9
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419 1672 6
//
system version 2.2.6-SNAPSHOT