MassBank Record: MSJ00080

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

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

ACCESSION: MSJ00080
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: (R)-(+)-Limonene was purchased from Wako 124-03892.
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: 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: 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: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: (R)-(+)-Limonene
CH$COMPOUND_CLASS: Natural products; Monoterpenes
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520000000000663931132294237613677978515625
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: COMPTOX DTXSID1020778
CH$LINK: INCHIKEY XMGQYMWWDOXHJM-JTQLQIEISA-N
CH$LINK: PUBCHEM CID:440917

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$SPLASH: splash10-0ukl-0497000000-83f8c283cf428005ba2c
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  106.95 2967 62
  135.06 26125 550
  136.85 4644 98
  151.02 28728 605
  153.1 5761 121
  154.1 9435 199
  154.93 5462 115
  166.99 7864 166
  169.07 9341 197
  186.08 5010 105
  192.99 3464 73
  194.06 2904 61
  202.09 3434 72
  269.13 7550 159
  271.12 32154 677
  272.06 5430 114
  273.09 34573 728
  274.12 7480 157
  275.04 4234 89
  283.24 2812 59
  285.11 10632 224
  287.12 27396 577
  289.16 16395 345
  291.16 47457 999
  292.2 11077 233
  293.12 4080 86
  295.14 2669 56
  301.14 6075 128
  303.1 29413 619
  305.08 5193 109
  306.12 3034 64
  307.13 6993 147
  317.08 4417 93
  319.11 16066 338
  320.19 3606 76
  321.1 7729 163
  322.29 4214 89
  335.17 3051 64
  336.14 4047 85
  337.16 6168 130
  338.12 14638 308
  339.22 4174 88
  352.3 3652 77
  354.24 16876 355
  355.29 3622 76
  356.18 3346 70
  368.06 3251 68
  370.24 16024 337
  386.2 7432 156
  387.26 3009 63
  407.41 4568 96
  421.32 2395 50
  423.34 3435 72
  425.55 2990 63
  439.16 3380 71
  441.33 2476 52
  455.37 2679 56
  506.33 3654 77
//