MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004261

NITRILOTRIACETIC ACID TRIMETHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004261
RECORD_TITLE: NITRILOTRIACETIC ACID TRIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: NITRILOTRIACETIC ACID TRIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅NO₆
CH$EXACT_MASS: 233.08994
CH$SMILES: COC(=O)CN(CC(=O)OC)CC(=O)OC
CH$IUPAC: InChI=1S/C9H15NO6/c1-14-7(11)4-10(5-8(12)15-2)6-9(13)16-3/h4-6H2,1-3H3
CH$LINK: INCHIKEY NHKRXCTYPGGSTL-UHFFFAOYSA-N

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-006t-5900000000-0060568d4ff576ea38b0
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  42 31.7 317
  45 63.9 639
  46 1.7 17
  56 0.64 6
  57 2.5 25
  72 2.1 21
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//