MassBank Record: MSJ00082

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Azulene; APCI-Q; MS; Positive; DART

Mass Spectrum
Chemical Structure
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ACCESSION: MSJ00082
RECORD_TITLE: Azulene; APCI-Q; MS; Positive; DART
DATE: 2018.12.17
AUTHORS: Motoshi Sakakura, Application Development, AMR, Tokyo, Japan
LICENSE: CC BY
COPYRIGHT: Motoshi Sakakura, Application Development, AMR, Tokyo, Japan.
PUBLICATION: Motoshi Sakakura, J. Mass Spectrom. Soc. Jpn., 66(1), 15-24 (2018).
COMMENT: One micro litter of the liquid sample was dropped in a 10 mL glass vial. The vial was placed under the DART ion source.
COMMENT: Direct analysis in real time (DART) is a method of atmospheric pressure chemical ionization (APCI). Protons, H+, generated by glow discharge ionization of the He gas in the ionization chamber, DART-SVP (IonSense Inc., MA, USA), were major reactant ions for the chemical ionization of samples.
COMMENT: The interface introducing the product ions to the mass spectrometer was Vapur Interface (AMR. Inc., Tokyo, Japan). The pressure in the interface was 710 Torr (96.3 kPa).
COMMENT: 1 mg of azulene was placed on glass capillary. The capillary was placed in the gas flow that ran from the ion source.
COMMENT: Azulene was purchased from TCI A0634.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: Azulene
CH$NAME: Cyclopentacycloheptene
CH$COMPOUND_CLASS: Natural products; Monoterpenes
CH$FORMULA: C10H8
CH$EXACT_MASS: 128.0626
CH$SMILES: C1=CC=C2C=CC=C2C=C1
CH$IUPAC: InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
CH$LINK: CHEMSPIDER 8876
CH$LINK: INCHIKEY CUFNKYGDVFVPHO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9231
CH$LINK: COMPTOX DTXSID2059770

AC$INSTRUMENT: LCMS-2020 (SHIMADZU Corp., Kyoto, Japan) coupled to Vapur Interface (AMR. Inc., Tokyo, Japan).
AC$INSTRUMENT_TYPE: APCI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: REACTANT_ION H+

PK$SPLASH: splash10-004i-0900000000-e2aa8d221bfd7e496dd1
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  129.02 252150 999
  130.08 19916 79
  144.98 24698 98
  376.3 14333 57
//