MassBank Record: KO001952



 Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001952
RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T065

CH$NAME: Trehalose 6-phosphate CH$NAME: alpha,alpha'-Trehalose 6-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H23O14P CH$EXACT_MASS: 422.08254 CH$SMILES: OCC(O1)C(O)C(O)C(O)C1OC(O2)C(O)C(O)C(O)C(COP(O)(O)=O)2 CH$IUPAC: InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 CH$LINK: CAS 4484-88-2 CH$LINK: CHEBI 18283 CH$LINK: KEGG C00689 CH$LINK: PUBCHEM SID:3958
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 421 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-e2a394714155764b8b6c PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 59.000 227723.0 14 70.600 59406.0 4 78.900 16128729.0 999 88.800 123762.5 8 97.000 6772284.0 419 101.100 69307.0 4 112.700 59406.0 4 119.300 29703.0 2 120.500 44554.5 3 139.200 1202971.5 75 151.200 118812.0 7 162.900 198020.0 12 180.900 277228.0 17 205.100 34653.5 2 222.900 79208.0 5 241.300 1143565.5 71 //