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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003894

GLUTARIC ACID; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003894
RECORD_TITLE: GLUTARIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: GLUTARIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8O4
CH$EXACT_MASS: 132.04226
CH$SMILES: OC(=O)CCCC(O)=O
CH$IUPAC: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021654

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052o-9000000000-663deab1ce6413c4859d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  39 35.7 357
  41 56.4 564
  42 99.99 999
  45 5.32 53
  55 70 700
  58 32.9 329
  60 56.7 567
  86 76.2 762
//

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