MassBank Record: MSJ00132



 4,4'-Diaponeurosporene; LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 10 eV. 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ00132
RECORD_TITLE: 4,4'-Diaponeurosporene; LC-ESI-QTOF; MS2; POSITIVE; ESI; [M+H]+; COLLISION_ENERGY 10 eV.
DATE: 2019.02.26
AUTHORS: , Takashi Maoka, Research Institute for Production Development, Kyoto 606-0805, Japan.
LICENSE: CC BY
COPYRIGHT: Takashi Maoka, Research Institute for Production Development, Kyoto 606-0805, Japan.
PUBLICATION: Takashi Maoka, Structural studies of carotenoids in plants, animals, and food products, in Chapter 7, Carotenoids Nutrition, Analysis and Technology, Edited by Agnieska Kaezor and Malgorzata Baranska, Wiley Blackwell, UK, pp. 103-129, (2016).
COMMENT: Window width to select the precursor ion was 3 Da.
COMMENT: This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.

CH$NAME: 4,4'-Diaponeurosporene CH$NAME: All-trans-4,4'-diaponeurosporene CH$COMPOUND_CLASS: Natural product; carotenoids, carotene CH$FORMULA: C30H42 CH$EXACT_MASS: 402.3287 CH$SMILES: CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(C)C)/C)/C)C CH$IUPAC: InChI=1S/C30H42/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-11,13-19,21-24H,12,20H2,1-8H3/b10-9+,19-11+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+ CH$LINK: CHEMSPIDER 4947753 CH$LINK: INCHIKEY FPSYVUBUILNSRF-MQMKOTMBSA-N CH$LINK: LIPIDBANK VCA1050 CH$LINK: PUBCHEM CID:6443791
AC$INSTRUMENT: Xevo G2-S QtOF, Waters (USA) coupled to ACQUITY UPLC, Waters (USA). AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V AC$MASS_SPECTROMETRY: CONE_VOLTAGE 5 V AC$CHROMATOGRAPHY: COLUMN NAME BEH C18, I.D. 2.1 mm, length 100 mm, thickness 1.7 micrometer. AC$CHROMATOGRAPHY: FLOW_GRADIENT Methanol-CH3CN (35:65) as a mobile phase at a flow rate of 0.4 mL/min.
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 403.3359
PK$SPLASH: splash10-0udi-0222900000-7c3e45fa38858cce8456 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 93.07 879 11 109.101 2775 34 119.086 1147 14 121.102 1218 15 123.117 1309 16 133.101 1348 17 135.116 1951 24 145.1 1927 24 147.117 1522 19 157.102 3554 44 159.117 1356 17 161.132 1032 13 171.117 1885 23 173.132 1916 24 175.149 1864 23 183.117 1503 18 185.132 2056 25 187.148 1254 15 188.155 1527 19 197.133 1238 15 199.147 3948 49 200.151 853 10 201.163 916 11 203.179 2075 26 209.132 1875 23 211.149 2353 29 212.153 1391 17 213.163 1027 13 216.187 3950 49 221.131 885 11 223.148 1358 17 224.154 903 11 225.163 1956 24 227.178 1740 21 241.195 11210 138 242.198 2190 27 263.18 1174 14 265.195 1646 20 267.211 1397 17 277.194 1708 21 278.2 1035 13 308.249 2512 31 309.254 844 10 310.265 10420 128 311.269 2706 33 319.241 1092 13 323.274 2357 29 333.257 11630 143 334.261 2875 35 344.849 1082 13 366.831 996 12 384.841 1172 14 387.305 815 10 401.213 1865 23 401.254 1630 20 401.286 1666 20 401.32 23170 285 402.327 81350 999 403.23 4705 58 403.331 28560 351 404.232 823 10 404.334 4304 53 405.258 958 12 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)