ACD/Lab»çÀÇ °¡Àå ±âº»ÀÌ µÇ´Â ÇÁ·Î±×·¥À¸·Î¼ ÇϳªÀÇ Ç÷§ÆûÀ¸·Î NMR, GC/LC/MS, UVIR, Chromatography µî ´Ù¾çÇÑ ºÐ¼®µ¥ÀÌÅ͵éÀ» ó¸®/ºÐ¼® ÇÒ ¼ö ÀÖÀ¸¸ç, ´Ù¾çÇÑ ºÐ¼® ¹æ¹ýÀ» Á¦°øÇÏ´Â ±Û·Î¹ú ÁÖ¿ä Àåºñ ȸ»çµéÀÇ °¢Á¾ µ¥ÀÌÅÍ Çü½ÄÀ» Áö¿øÇÕ´Ï´Ù.
»ç¿ëÀÌ Æí¸®ÇÑ GUI¸¦ Á¦°øÇÏ¿© ÇÁ·Î±×·¥À» Á÷°üÀûÀ¸·Î »ç¿ëÇÒ ¼ö ÀÖ½À´Ï´Ù.
ÈÇÕ¹° ±¸Á¶ Á¤º¸ ÀÔ·Â ÈÄ ½ºÆåÆ®·³ ºÐ¼® Á¤º¸¸¦ ÀÌ¿ëÇÏ¿© ÀÚµ¿À¸·Î peak assignÀ» ÇØÁÖ°í, ÀÏ»óÀûÀÎ chemical structure confirmation
ÀÛ¾÷À» ¼Õ½±°Ô ¼öÇàÇÒ ¼ö ÀÖ½À´Ï´Ù.
Report template Á¦ÀÛ ÅøÀ» ÀÌ¿ëÇÏ¿© ¿øÇÏ´Â ¾ç½ÄÀÇ report formatÀ» ¸¸µé ¼ö ÀÖ°í, report »ý¼º ¹öư Ŭ¸¯À¸·Î ÇÊ¿äÇÑ report¸¦ »ý¼ºÇÒ ¼ö ÀÖ½À´Ï´Ù.
NMR Predictors Suite
The most Accurate 1D and 2D NMR Predictors
ÈÇÕ¹° ±¸Á¶·ÎºÎÅÍ ºü¸£°í Á¤È®ÇÏ°Ô chemical shifts, coupling constants µî 1H, 13C, 15N, 19F, 31P ÇÙÁ¾¿¡ ´ëÇÑ NMR spectra¸¦ ¿¹ÃøÇÒ ¼ö ÀÖ½À´Ï´Ù.
In house dataµéÀ» trainable database¿¡ Ãß°¡ÇÏ¿© ¿¹Ãø ½Å·Úµµ¸¦ ³ôÀÏ ¼ö ÀÖ½À´Ï´Ù.
È¿°úÀûÀ¸·Î structure verificationÇÒ ¼ö ÀÖµµ·Ï ¿¹Ãø °á°ú¿Í ½ÇÇè °á°ú¸¦ Á÷Á¢ ºñ±³ÇØ º¼ ¼ö ÀÖ½À´Ï´Ù.
- ´Ù¾çÇÑ ¿ë¸Å Á¶°Ç ÇÏ¿¡¼ 1H, 13C NMR spectra ¿¹Ãø
- ¿¹Ãø ½Ã tautomeric forms ÀÎ½Ä ¹× Á¦¾È
- 15N chemical shifts¸¦ ¿¹ÃøÇϰí acquisition range¸¦ Á¶ÀýÇÏ¿© ÃøÁ¤ ½Ã°£À» ´ÜÃàÇÒ ¼ö ÀÖ½À´Ï´Ù.
NMR Workbook Suite
Data Interpretation, Structure Characterization & Knowledge Management
NMR Project ±â´ÉÀ» ÅëÇØ 1D, 2D NMRÀ» µ¿±âÈ ÇÏ¿© ÇÇÅ© ¼±Åà ½Ã, 1D, 2D ¸ðµÎ¿¡ ¹Ý¿µµË´Ï´Ù.
¸ðµç Çü½ÄÀÇ ±âº» ¶Ç´Â »ç¿ëÀÚ Á¤ÀÇ º¸°í¼ ÅÛÇø´À» »ç¿ëÇÏ¿© Àü¹®ÀûÀÌ°í °íǰÁúÀÇ º¸°í¼¸¦ »ý¼ºÇÒ ¼ö ÀÖ½À´Ï´Ù.
ÇÑ ¹øÀÇ °£´ÜÇÑ ´Ü°è¸¦ °ÅÃÄ ½ÇÇè »ùÇðú °ü·ÃµÈ ¸ðµç ½ÇÇè ½ºÆåÆ®·³µéÀ» µ¥ÀÌÅͺ£À̽º·Î ±¸Ãà ÇÒ ¼ö ÀÖ½À´Ï´Ù.
°³º° µ¥ÀÌÅͺ£À̽º ±â·Ï¿¡´Â ÈÇб¸Á¶ ¹× ´Ù¾çÇÑ ºÐ¼® °á°ú°¡ Æ÷Ç﵃ ¼ö ÀÖ½À´Ï´Ù.
(table of peaks, table of assignments, annotations, etc.)
Structure Elucidator Suite
Rapid Dereplication and de novo Elucidation for Complex Unknown Structures
±âÁ¸¿¡ ¾Ë·ÁÁø 1H, 13C NMR database¿Í ¾à 1¾ï°³¿¡ ´ÞÇÏ´Â ¿¹ÃøµÈ 1H, 13C NMR database¸¦ ºü¸£°Ô °Ë»öÇÏ¿© known/unknown structure¸¦ ºÐº°ÇÒ ¼ö ÀÖ½À´Ï´Ù.
NMR°ú ´Ù¸¥ ºÐ¼® ±â¼úµéÀ» »ç¿ëÇÏ¿© ¼öÁØ ³ôÀº ±¸Á¶ °ËÁõ°ú ½Å¼ÓÇÑ ±¸Á¶ Ư¼ºÈ°¡ °¡´ÉÇϰí, º¹ÀâÇÏ°í ±¸Á¶°¡ ¾Ë·ÁÁöÁö ¾ÊÀº ¹°ÁúµéÀÇ
±¸Á¶¸¦ ÇØ¸íÇÒ ¼ö ÀÖ½À´Ï´Ù.
Dereplication: ±â ±¸ÃàµÈ NMR ¶óÀ̺귯¸®ÀÇ ½ºÆåÆ®·³ °Ë»öÀ¸·Î, ½ºÆåÆ®·³°ú °ü°èµÈ ÀÌ¹Ì ¹àÇôÁø ±¸Á¶ Á¤º¸¸¦ ºü¸£°Ô °Ë»öÇÒ ¼ö ÀÖ½À´Ï´Ù.
Elucidation: °üÃøµÈ 1D, 2D NMR spectra¸¦ ¸¸Á·ÇÏ´Â ±¸Á¶µéÀ» »ý¼ºÇÕ´Ï´Ù.
Name
Chemical Names according to IUPAC and CAS Index rules
IUPAC ¹× CAS À妽º ±ÔÄ¢¿¡ µû¶ó ÈÇÐÀû À̸§À» »ý¼ºÇϰí À̸§À» ±¸Á¶·Î ´Ù½Ã º¯È¯ÇÒ ¼ö ÀÖÀ¸¸ç, »ý¹°ÇÐÀû ºÐÀÚ, À¯±â ±Ý¼Ó ¹× Æú¸®¸Ó¿Í
°°Àº ±î´Ù·Î¿î ¸í¸í ¿µ¿ªÀ» ½±°Ô ó¸® ÇÒ ¼ö ÀÖ½À´Ï´Ù.
Generate the IUPAC name for your structure, or enter a name to produce the chemical structure
MS Fragmenter
Estimating Mass Spectral Fragmentation
±¸Á¶¸¦ ±×¸®°í, ÀÌ¿ÂÈ ¹æ¹ý ¹× ±Ø¼ºÀ» ¼±ÅÃÇÏ¿© ½Ç½Ã°£À¸·Î MS fragmentationÀ» ¿¹ÃøÇÒ ¼ö ÀÖ½À´Ï´Ù.
Ç¥Àû ºÐÀÚ Á¶°¢È¿¡ ´ëÇÑ ÅëÂû·ÂÀ» ¾ò±â À§ÇØ È®¸³µÈ ¹®Çå ±ÔÄ¢¿¡ µû¶ó Á¶°¢ ÀÌ¿ÂÀ» ¿¹ÃøÇÕ´Ï´Ù.
MS Workbook Suite
Detecting, Identifying, and Characterizing LC/MS & GC/MS Components
LC/UV/MS & GC/MS µ¥ÀÌÅ͸¦ »ç¿ëÇÏ¿© ÈÇÕ¹°À» ½Äº°ÇÏ°í Æ¯¼ºÈÇϱâ À§ÇÑ Àü¹®ÀûÀÎ ÅøÀÔ´Ï´Ù.
Agilent, Bruker, LECO, PerkinElmer, SCIEX, Shimadzu, Thermo Fisher Scientific, Waters µî ´ëºÎºÐÀÇ ÁÖ¿ä Àåºñ °ø±Þ¾÷üÀÇ ÆÄÀÏ Æ÷¸ËÀ»
ÀνÄÇÕ´Ï´Ù.
½ºÆåÆ®·³, Å©·Î¸¶Åä ±×·¡ÇÇ ¹× ±¸Á¶ ¶óÀ̺귯¸®¿Í ¸ÂÃãÇü º¸°í¼¸¦ »ý¼ºÇÏ¿© Áö½ÄÀ» È¿À²ÀûÀ¸·Î °øÀ¯ÇÕ´Ï´Ù.
Å©·Î¸¶Åä ±×·¥À» ÃßÃâÇÏ°í ¼ººÐ ¸ñ·ÏÀ» ½ºÅ©¸®´×ÇÏ¿© ¾Ë·ÁÁø ÈÇÕ¹°°ú "¾Ë·ÁÁø ¹ÌÁö" ÈÇÕ¹°À» ½Äº°ÇÕ´Ï´Ù.
MetaSense
Metabolite Identification that Just Makes Sense
½Ã°£À» Àý¾àÇϰí Çù¾÷À» °ÈÇÏ¸é¼ ±âÁ¸ ´ë»ç »ê¹° ½Äº° ¹®Á¦¸¦ ÇØ°áÇÕ´Ï´Ù.
- ´ë»ç »ê¹° ¿¹Ãø ¹× ½Äº° ÀÚµ¿È - »ýü ¹øÈ¯Áöµµ ¹× º¸°í¼ ÀÚµ¿ »ý¼º
- MetID µ¥ÀÌÅ͸¦ Ãß°¡ÇÏ¿© ½±°Ô ´ëÈ ÇüÀÇ °Ë»ö °¡´ÉÇÑ µ¥ÀÌÅͺ£À̽º·Î È®Àå
- MetaSense À¥ Æ÷ÅÐÀ» ÅëÇØ °á°ú¿¡ ½±°Ô Á¢±ÙÇÏ°í º¸°í¼ °øÀ¯
Method Selection Suite
Develop Better Chromatography Methods, in Less Time
¹°¸®ÈÇÐÀû ¼ºÁú ¿¹Ãø°ú ºÐ¸® ¹æ¹ý ÃÖÀûÈ ÅøÀ» ¿¬°èÇÏ¿© ¹æ¹ý °³¹ßÀ» °£¼ÒÈÇϰí È¿°úÀûÀ¸·Î °·ÂÇÑ ºÐ¸® ¹æ¹ýÀ» »ý¼ºÇÕ´Ï´Ù.
- ¿ì¼¼ÇÑ ½ÃÀÛ Á¶°ÇÀ» Á¤ÀÇÇϱâ À§ÇØ ¼ººÐµéÀÇ ¹°¸®ÈÇÐÀû ¼ºÁúµéÀ» ¿¹ÃøÇÕ´Ï´Ù.
- Quality by Design (QbD) ¿øÄ¢¿¡ µû¶ó ºÐ¸® ¹æ¹ýÀ» Çâ»ó½Ã۱â À§ÇØ ´Ù¾çÇÑ ½ÇÇè Á¶°ÇµéÀ» ½Ã¹Ä·¹À̼ÇÇÕ´Ï´Ù.
(µðÀÚÀÎ °ø°£À» È®ÀåÇÏ´Â ´Ù º¯¼ö ÃÖÀûÈ)
- »çÀü Á¤ÀÇµÈ ´Ù¾çÇÑ ¸ðµ¨À» »ç¿ëÇÏ¿© ºÐ¸® ¹æ¹ýÀ» ÃÖÀûÈÇÕ´Ï´Ù. (Proteins, HILIC µî)
AutoChrom
Optimal Method Development Strategy
Quality by Design (QbD) ¿øÄ¢¿¡ µû¶ó ³í¸®Àû ºÐ¼®¹ýÀ» °³¹ßÇÏ´Â ¼ÒÇÁÆ®¿þ¾î ÆÐŰÁö·Î AutoChromÀ» ÀÌ¿ëÇÏ¿© ÃÖÀûÀÇ LC/MS, LC/UV ºÐ¸® Á¶°ÇÀ» ãÀ» ¼ö ÀÖ½À´Ï´Ù.
ÁÁÀº Á¶°ÇÀÇ ½ÃÀÛÁ¡À» ¼±ÅÃÇϰí Áö´ÉÀûÀÎ ÃÖÀûȸ¦ ¼öÇàÇÏ¿© ªÀº ½Ã°£¿¡ ´õ ³ªÀº ¹æ¹ýÀ» ¾òÀ» ¼ö ÀÖ½À´Ï´Ù.
AutoChromÀÇ QbD Á¢±Ù ¹æ¹ýÀº ´Ùº¯¼ö ÃÖÀûÈ, ½ÇÇè °ø°£ ¼³°è¿¡ ´ëÇÑ Ã¼°èÀûÀÎ ¼³°è ¹æ¹ýÀ» Á¦°øÇÏ°í ¹æ¹ý °³¹ß ÇÁ·Î¼¼½º Àü¹Ý¿¡ °ÉÄ£
°ß°íÇÑ ¸ðµ¨¸µÀ» Á¦°øÇÕ´Ï´Ù.