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MassBank Record: MSJ00081

(R)-(+)-Limonene; APCI-Q; MS; positive; APCI; H+

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

ACCESSION: MSJ00081
RECORD_TITLE: (R)-(+)-Limonene; APCI-Q; MS; positive; APCI; H+
DATE: 2019.01.31
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: 1 micro litter of limonene (liquid) was placed on glass capillary.
COMMENT: (R)-(+)-Limonene was purchased from Wako 124-03892.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.
COMMENT: Direct analysis in real time (DART) is a method of atmospheric pressure chemical ionization (APCI). Protons, H+, generated by glow discharge ionization (-5 kV) 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).

CH$NAME: (R)-(+)-Limonene
CH$COMPOUND_CLASS: Natural products; Monoterpenes
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.1252
CH$SMILES: CC1=CC[C@@H](CC1)C(=C)C
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
CH$LINK: CHEMSPIDER 389747
CH$LINK: INCHIKEY XMGQYMWWDOXHJM-JTQLQIEISA-N
CH$LINK: PUBCHEM CID:440917
CH$LINK: COMPTOX DTXSID1020778

AC$INSTRUMENT: LCMS-2020 (SHIMADZU Corp., Kyoto, Japan)
AC$INSTRUMENT_TYPE: APCI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REACTANT_IONS H+

PK$SPLASH: splash10-009l-0920000000-6a192de3475f5a07acd7
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  81.08 2787 82
  135.05 15439 455
  136.99 11428 337
  150.97 7231 213
  153.08 5883 174
  154.07 8108 239
  155.08 2706 80
  166.08 7086 209
  166.98 1830 54
  168.94 1768 52
  177.02 29165 860
  178.06 1869 55
  180.17 1852 55
  186.02 7925 234
  188.06 2696 80
  194.07 33869 999
  234.8 1987 59
  271.13 14536 429
  272.21 2926 86
  273.15 13445 397
  274.13 3551 105
  536.19 3642 107
  537.27 3057 90
//

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